SCHEMBL4142872

SCHEMBL4142872

COC(=O)Nc1ccc(-c2csc(C(Cc3ccccc3)NC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 7/20 0.48
F11 P03951 5/20 0.45
KLKB1 P03952 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
AGTR1 P30556 1/20 0.42

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
SCHEMBL4142875 0.83 F11 (0.43) PTPRBF11CTSSCTSKMEN1
SCHEMBL13650880 0.80 FPR2 (0.43) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL4128919 0.80 FPR2 (0.43) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL478942 0.77 F11 (0.55) PTPRBF11KLKB1PRSS1PRSS2
SCHEMBL478712 0.77 F11 (0.47) PTPRBF11KLKB1PRSS1PRSS2
SCHEMBL478973 0.76 F11 (0.57) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1196923 0.76 PTPRB (0.49) PTPRBF11CTSSCTSKALDH1A1
SCHEMBL478546 0.75 F11 (0.50) PTPRBF11KLKB1PRSS1PRSS2
SCHEMBL478811 0.75 F11 (0.58) PTPRBF11KLKB1PRSS1PRSS2
SCHEMBL478548 0.75 F11 (0.50) PTPRBF11KLKB1PRSS1PRSS2

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 PTPRB 1428/4885F11 3/4885KLKB1 23/4885

“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.