SCHEMBL6173564

SCHEMBL6173564

COC(=O)c1cc(S(C)(=O)=O)nn1-c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
PTGS2 P35354 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4D Q08499 1/20 0.41
RPA1 P27694 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
F10 P00742 3/20 0.41
PTGS1 P23219 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
SCHEMBL5645113 0.88 RPA1 (0.48) ALDH1A1L3MBTL1GAAMAPTPTGS2
SCHEMBL6494601 0.88 PDE4D (0.55) ALDH1A1L3MBTL1MAPTRECQLLMNA
SCHEMBL7056604 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1GAAMAPTTHRB
SCHEMBL6173677 0.78 RPA1 (0.62) ALDH1A1L3MBTL1GAAMAPTTHRB
SCHEMBL6173412 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1GAAMAPTTHRB
SCHEMBL6174660 0.77 CA1 (0.53) ALDH1A1L3MBTL1GAAMAPTTHRB
SCHEMBL6172273 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAMAPTTHRB
SCHEMBL22021462 0.75 PTGS2 (0.47) ALDH1A1L3MBTL1GAAMAPTPTGS2
SCHEMBL21963097 0.75 PTGS2 (0.56) ALDH1A1L3MBTL1MAPTPTGS2SMN1; SMN2
SCHEMBL5150637 0.74 CA1 (0.53) PTGS2RPA1PTGS1

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 ALDH1A1 1329/4885L3MBTL1 2167/4885GAA 1505/4885

“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.