SCHEMBL6174582

SCHEMBL6174582

COc1ccc(-n2nc(SC)cc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.52
TP53 P04637 1/20 0.47
GRN P28799 1/20 0.46
SORT1 Q99523 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.43
MARS1 P56192 1/20 0.43
GFER P55789 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MALT1 Q9UDY8 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 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
SCHEMBL6173412 0.88 ALDH1A1 (0.51) RPA1TP53ALDH1A1LMNAHTT
SCHEMBL15939016 0.83 L3MBTL1 (0.52) GRNSORT1ALDH1A1LMNAGAA
SCHEMBL1873948 0.81 LMNA (0.59) RPA1TP53ALDH1A1LMNAHTT
SCHEMBL6173361 0.81 RPA1 (0.67) RPA1TP53ALDH1A1LMNAHTT
SCHEMBL18277669 0.81 GRN (0.72) RPA1TP53GRNSORT1ALDH1A1
SCHEMBL1096199 0.80 PTGS2 (0.61) GRNSORT1
Hydrochloric Acid SCHEMBL6173032 0.78 PTGS2 (0.60) GRNSORT1
SCHEMBL6493037 0.78 RPA1 (0.55) RPA1TP53ALDH1A1LMNAHTT
SCHEMBL6173415 0.78 RPA1 (0.49) RPA1TP53GRNSORT1ALDH1A1
SCHEMBL1996485 0.78 ALDH1A1 (0.49) RPA1TP53GRNSORT1ALDH1A1

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 RPA1 506/4885TP53 4728/4885GRN 448/4885

“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.