SCHEMBL2170695

SCHEMBL2170695

NS(=O)(=O)c1[c]ccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.40
CA1 P00915 9/20 0.40
CA9 Q16790 7/20 0.40
CA12 O43570 7/20 0.40
CA7 P43166 2/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SOS1 Q07889 3/20 0.38
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
CA13 Q8N1Q1 1/20 0.34
TDO2 P48775 1/20 0.34
MAP2K7 O14733 1/20 0.34
MAP2K4 P45985 1/20 0.34

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
SCHEMBL1116610 0.79 PTGS2 (0.38) PTGS2PTGS1TDO2
SCHEMBL28057658 0.79 PARP1 (0.35) CA2CA1
SCHEMBL2777021 0.77 CA2 (0.42) CA2CA1CA9CA12CA7
SCHEMBL2167752 0.75 CA2 (0.40) CA2CA1CA9CA12CA7
SCHEMBL2168882 0.75 CA2 (0.40) CA2CA1CA9CA12CA7
SCHEMBL2169120 0.75 CA1 (0.40) CA2CA1CA9CA12CA7
SCHEMBL4155196 0.75 PSEN1 (0.41)
SCHEMBL2895869 0.71 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL6640010 0.71 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL2000387 0.71 CA2 (0.41) CA2CA1CA9CA12PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4716984-B2 2011-07-06 JP claimed
EP-1809600-A4 CYCLIC B-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
EP-1667647-A4 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP claimed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP claimed
EP-1670739-A4 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP 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-7115646-B2 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-10-03 US claimed
JP-2006520790-A 2006-09-14 JP claimed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-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
US-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-04-21 US claimed
WO-2005032490-A2 CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO 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-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES 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 (5 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD CA2 1540/4885CA1 232/4885CA9 801/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT CA2 2074/4885CA1 1254/4885CA9 1436/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 CA2 1299/4885CA1 309/4885CA9 560/4885
US-20050085511-A1 Cyclic diamines and derivatives as factor Xa inhibitors TFPI, SERPINC1, F12 CA2 1302/4885CA1 527/4885CA9 490/4885
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 CA2 521/4885CA1 148/4885CA9 220/4885

“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.