SCHEMBL2117400

SCHEMBL2117400

Cc1ccc2c(c1C)NC(C(=O)O)C1CC=CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 13/20 1.00
HSPA1A P0DMV8 9/20 1.00
HSPA8 P11142 6/20 1.00
GAPDH P04406 6/20 1.00
TDP1 Q9NUW8 5/20 1.00
NR4A1 P22736 5/20 1.00
KDM4E B2RXH2 4/20 1.00
POLB P06746 4/20 1.00
MAPT P10636 4/20 1.00
RECQL P46063 4/20 1.00
BLM P54132 4/20 1.00
HSD17B10 Q99714 4/20 1.00
L3MBTL1 Q9Y468 4/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
ALOX15 P16050 3/20 1.00
ALDH1A1 P00352 3/20 1.00
HPGD P15428 3/20 1.00
ALOX12 P18054 1/20 1.00
DUSP1 P28562 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13856742 1.00 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13056428 0.87 NR4A1 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL16706089 0.81 TDP1 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL2116061 0.80 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL14680373 0.79 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL14758490 0.79 CDC25B (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL2804418 0.79 CDC25B (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL2117317 0.79 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13726071 0.77 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13726075 0.77 CDC25B (0.76) PTPN7HSPA1AHSPA8GAPDHTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192578-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
WO-2015027040-A2 METHODS AND COMPOSITIONS FOR TREATING SCHISTOSOME INFECTION TUFTS UNIVERSITY (US) 2015-02-26 WO disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 PTPN7 2529/4885HSPA1A 1072/4885HSPA8 1197/4885
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM PTPN7 1828/4885HSPA1A 2298/4885HSPA8 2272/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 PTPN7 3462/4885HSPA1A 515/4885HSPA8 715/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 PTPN7 3462/4885HSPA1A 515/4885HSPA8 715/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 PTPN7 3462/4885HSPA1A 515/4885HSPA8 715/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD PTPN7 3199/4885HSPA1A 535/4885HSPA8 217/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA PTPN7 2149/4885HSPA1A 1036/4885HSPA8 1253/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM PTPN7 1828/4885HSPA1A 2298/4885HSPA8 2272/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.