SCHEMBL4142875

SCHEMBL4142875

COC(=O)Nc1ccc(-c2csc(CC(NC(=O)OC(C)(C)C)c3ccccc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.43
PTPRB P23467 4/20 0.42
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CYP17A1 P05093 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC4 P56524 1/20 0.38
CTSB P07858 1/20 0.38
PSMB8 P28062 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4142872 0.83 PTPRB (0.48) F11PTPRBCTSSCTSKMEN1
SCHEMBL5594243 0.80 F11 (0.40) F11MEN1KMT2AROCK2ROCK1
SCHEMBL478944 0.77 F11 (0.40) F11PTPRBCTSSCTSKCYP17A1
SCHEMBL478713 0.77 F11 (0.40) F11PTPRBCTSSCTSKCYP17A1
SCHEMBL478974 0.76 F11 (0.42) F11PTPRBCYP17A1MEN1KMT2A
SCHEMBL31438039 0.76 CYP17A1 (0.52) CYP17A1HDAC1HDAC3HDAC2HDAC8
SCHEMBL1196925 0.76 PTPRB (0.43) F11PTPRBCTSSCTSKCYP17A1
SCHEMBL3413919 0.75 F11 (0.39) F11PTPRBCTSSCTSKCYP17A1
SCHEMBL478814 0.75 F11 (0.43) F11PTPRBCYP17A1ROCK2
SCHEMBL1196769 0.75 F11 (0.43) F11PTPRBCTSSCTSKCYP17A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 F11 3/4885PTPRB 1428/4885CTSS 212/4885

“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.