SCHEMBL7051370

SCHEMBL7051370

COc1ccc(-c2nc(Br)sc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
PTGDR2 Q9Y5Y4 5/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
PTGS2 P35354 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.48
MCL1 Q07820 1/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL7050439 0.86 ALDH1A1 (0.51) ALOX5PTGDR2ALDH1A1MAPTLMNA
SCHEMBL1398615 0.84 ALDH1A1 (0.62) ALOX5PTGDR2ALDH1A1MAPTLMNA
SCHEMBL5816209 0.82 CDC7 (0.59) ALOX5PTGDR2ALDH1A1MAPTPTGS2
SCHEMBL14705597 0.81 KDM4E (0.53) PTGDR2ALDH1A1MAPTKDM4EMEN1
SCHEMBL14705598 0.81 ALOX5 (0.47) ALOX5PTGDR2ALDH1A1MAPTPTGS2
SCHEMBL7050104 0.76 NPC1 (0.51) ALOX5PTGDR2ALDH1A1MAPTLMNA
SCHEMBL1919237 0.76 TRPM8 (0.54) ALOX5ALDH1A1MAPTLMNAKDM4E
SCHEMBL7051373 0.75 PTGDR2 (0.49) PTGDR2ALDH1A1LMNAKDM4EGAA
SCHEMBL2692137 0.75 F2RL3 (0.44) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL7053834 0.74 ALDH1A1 (0.58) ALOX5PTGDR2ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALOX5 2751/4885PTGDR2 2199/4885ALDH1A1 1329/4885

“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.