SCHEMBL2116528

SCHEMBL2116528

Cc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2

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 12/20 1.00
GAPDH P04406 8/20 1.00
POLB P06746 6/20 1.00
KMT2A Q03164 6/20 1.00
MEN1 O00255 5/20 1.00
L3MBTL1 Q9Y468 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
ALDH1A1 P00352 3/20 1.00
BLM P54132 3/20 1.00
KDM4E B2RXH2 2/20 1.00
MAPT P10636 2/20 1.00
HPGD P15428 2/20 1.00
ALOX15 P16050 2/20 1.00
BRCA1 P38398 2/20 1.00
RECQL P46063 2/20 1.00
HSD17B10 Q99714 2/20 1.00
APEX1 P27695 1/20 1.00
MASP2 O00187 3/20 0.73
MCL1 Q07820 3/20 0.73

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
SCHEMBL16706084 0.85 POLB (1.00) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL2808722 0.84 PTPN7 (1.00) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL16706087 0.84 PTPN7 (1.00) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL13186581 0.84 PTPN7 (0.73) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL3610631 0.84 CDC25B (1.00) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL10053590 0.84 POLB (0.80) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL16883499 0.82 PTPN7 (0.83) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL13725129 0.82 PTPN7 (1.00) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL13856706 0.81 PTPN7 (1.00) PTPN7HSPA1AGAPDHPOLBKMT2A
SCHEMBL1066515 0.81 PTPN7 (1.00) PTPN7HSPA1AGAPDHPOLBKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM PTPN7 1828/4885HSPA1A 2298/4885GAPDH 281/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM PTPN7 1828/4885HSPA1A 2298/4885GAPDH 281/4885

“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.