SCHEMBL3930133

SCHEMBL3930133

COc1cc[c]c(S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.37
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36
CA2 P00918 3/20 0.36
SLC2A1 P11166 1/20 0.36
METAP1 P53582 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.33

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
SCHEMBL2000387 0.83 CA2 (0.41) PTGS2CA2CA1CA9CA12
SCHEMBL1373329 0.83 PKM (0.35) HPGDALDH1A1RAB9APKMCA2
SCHEMBL10508562 0.75
SCHEMBL941266 0.74 G6PD (0.37) PTGS2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL2168627 0.74 CA1 (0.34) PTGS2LMNAMAPTKMT2ACA2
SCHEMBL2168568 0.72 SLC22A12 (0.33) ALDH1A1
SCHEMBL5868198 0.72 L3MBTL1 (0.42) HPGDALDH1A1LMNACA2L3MBTL1
SCHEMBL751917 0.72 CCR2 (0.34) PTGS2SMN1; SMN2LMNAMAPTPKM
SCHEMBL1116610 0.72 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL5510571 0.71 SMN1; SMN2 (0.49) HPGDSMN1; SMN2ALDH1A1LMNAHTT

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809600-A4 CYCLIC B-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US claimed
EP-1809600-A2 CYCLIC B-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2007-07-25 EP claimed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US claimed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US claimed
US-7135469-B2 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-11-14 US claimed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP claimed
WO-2006041831-A2 CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-20 WO claimed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP claimed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 US claimed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP claimed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
US-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-28 US claimed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US claimed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors TFPI, F12, F2 PTGS2 2907/4885HPGD 2558/4885SMN1; SMN2 3327/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD PTGS2 4045/4885HPGD 1815/4885SMN1; SMN2 2952/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT PTGS2 2410/4885HPGD 979/4885SMN1; SMN2 2767/4885
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 PTGS2 3195/4885HPGD 3467/4885SMN1; SMN2 1800/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 PTGS2 3688/4885HPGD 1471/4885SMN1; SMN2 3010/4885
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 PTGS2 2164/4885HPGD 1947/4885SMN1; SMN2 3076/4885

“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.