SCHEMBL14680373

SCHEMBL14680373

O=C(O)C1Nc2c(I)cccc2C2C=CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 12/20 1.00
▸ HSPA1A P0DMV8 8/20 1.00
▸ HSPA8 P11142 6/20 1.00
▸ GAPDH P04406 5/20 1.00
▸ TDP1 Q9NUW8 5/20 0.74
▸ KDM4E B2RXH2 4/20 0.74
▸ MEN1 O00255 4/20 0.74
▸ POLB P06746 4/20 0.74
▸ MAPT P10636 4/20 0.74
▸ KMT2A Q03164 4/20 0.74
▸ HSD17B10 Q99714 4/20 0.74
▸ L3MBTL1 Q9Y468 4/20 0.74
▸ RECQL P46063 3/20 0.74
▸ BLM P54132 3/20 0.74
▸ THRB P10828 2/20 0.74
▸ CACNA1B Q00975 2/20 0.74
▸ APBA1 Q02410 2/20 0.74
▸ ALOX15 P16050 2/20 0.74
▸ USP2 O75604 1/20 0.74
▸ GAA P10253 1/20 0.74

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
SCHEMBL2116061 0.85 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL14758490 0.84 CDC25B (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL2804418 0.84 CDC25B (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13726071 0.82 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL23949485 0.81 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL2117317 0.81 PTPN7 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13856221 0.80 NR4A1 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13856208 0.80 NR4A1 (1.00) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13726075 0.79 CDC25B (0.76) PTPN7HSPA1AHSPA8GAPDHTDP1
SCHEMBL13856742 0.79 PTPN7 (1.00) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682359-B2 Inhibitors of glucose kinases, along with methods of their formation and use UNIVERSITY OF SOUTH CAROLINA (US) 2020-06-16 — — US 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
EP-3138838-A1 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) 2017-03-08 — — EP 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
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

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

For each of this compound's patents that has machine-readable text (6 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-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-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-10682359-B2 Inhibitors of glucose kinases, along with methods of their formation and use GCK, GCKR, GALK1 PTPN7 1836/4885HSPA1A 1509/4885HSPA8 1441/4885

“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.

Send feedback