SCHEMBL6173365

SCHEMBL6173365

COc1ccccc1-n1nc(C(=O)O)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.56
ALDH1A1 P00352 3/20 0.48
RPA1 P27694 2/20 0.47
FABP3 P05413 1/20 0.46
MAPK14 Q16539 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ALOX15 P16050 1/20 0.44
PTGER1 P34995 1/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
BCL2 P10415 1/20 0.41
MDM2 Q00987 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL6173680 0.91 MARS1 (0.53) MARS1ALDH1A1RPA1FABP3MAPK14
SCHEMBL6174962 0.86 MAPT (0.57) MAPTHTTKMT2ALMNATP53
SCHEMBL7056607 0.82 MARS1 (0.44) MARS1ALDH1A1FABP3MAPK14MAPT
SCHEMBL30949261 0.80 MARS1 (0.50) MARS1ALDH1A1RPA1MAPK14ALOX15
SCHEMBL25078248 0.80 MARS1 (0.50) MARS1ALDH1A1RPA1MAPK14ALOX15
SCHEMBL17203948 0.79 MARS1 (0.70) MARS1ALDH1A1RPA1MAPTHTT
SCHEMBL29574464 0.78 HSD11B1 (0.58) MARS1ALDH1A1FABP3MAPK14KMT2A
SCHEMBL22731946 0.78 HSD11B1 (0.58) MARS1ALDH1A1FABP3MAPK14KMT2A
SCHEMBL27824578 0.76 MARS1 (0.60) MARS1ALDH1A1RPA1FABP3MAPT
SCHEMBL6172016 0.76 MAPT (0.54) ALDH1A1MAPTHTTALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 WO 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 (1 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 MARS1 2003/4885ALDH1A1 1329/4885RPA1 506/4885

“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.