SCHEMBL7051373

SCHEMBL7051373

COc1ccccc1-c1nc(Br)sc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 6/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 4/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
AHR P35869 1/20 0.43
ADORA2A P29274 2/20 0.43
APP P05067 1/20 0.42
GPR35 Q9HC97 1/20 0.42
HPGDS O60760 1/20 0.42
ADORA1 P30542 1/20 0.42
DHODH Q02127 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
SCHEMBL7050441 0.87 L3MBTL1 (0.47) PTGDR2ALDH1A1KDM4ELMNAGAA
SCHEMBL29488763 0.81 ALDH1A1 (0.54) PTGDR2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL931009 0.81 ALDH1A1 (0.54) PTGDR2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL7050112 0.77 ALDH1A1 (0.47) PTGDR2ALDH1A1KDM4ELMNAGAA
SCHEMBL1561051 0.75 KDM4E (0.46) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL5816209 0.75 CDC7 (0.59) PTGDR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7051370 0.75 ALOX5 (0.54) PTGDR2ALDH1A1KDM4ELMNAGAA
SCHEMBL3436652 0.74 SMN1; SMN2 (0.61) PTGDR2ALDH1A1KDM4EGAAHPGD
SCHEMBL7055542 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL10049076 0.71 PTGDR2 (0.53) PTGDR2ALDH1A1KDM4EHPGDHSD17B10

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 PTGDR2 2199/4885ALDH1A1 1329/4885KDM4E 3737/4885

“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.