SCHEMBL1196971

SCHEMBL1196971

COC(=O)Nc1ccc(-c2nc(C[C@H](NC(=O)OC(C)(C)C)c3ccccc3)[nH]c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 5/20 0.41
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
PTPRB P23467 3/20 0.39
SSTR3 P32745 1/20 0.38
CYP17A1 P05093 2/20 0.37
PTPN1 P18031 1/20 0.36
PSMB8 P28062 1/20 0.36
ROCK2 O75116 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL4790723 1.00 F11 (0.41) F11CTSSCTSKPTPRBSSTR3
SCHEMBL1196626 0.90 F11 (0.49) F11CTSSCTSKPTPRBSSTR3
SCHEMBL1196969 0.84 F11 (0.56) F11PTPRBSSTR3JAK2
SCHEMBL1196925 0.83 PTPRB (0.43) F11CTSSCTSKPTPRBSSTR3
SCHEMBL4790588 0.81 F11 (0.43) F11CTSSCTSKCYP17A1PSMB8
SCHEMBL1197003 0.81 F11 (0.43) F11CTSSCTSKCYP17A1PSMB8
SCHEMBL1196665 0.80 F11 (0.40) F11CTSSCTSKPTPRBSSTR3
SCHEMBL1197022 0.79 F11 (0.40) F11CTSSCTSKPTPRBPTPN1
SCHEMBL1196769 0.79 F11 (0.43) F11CTSSCTSKPTPRBCYP17A1
SCHEMBL4821763 0.79 F11 (0.43) F11CTSSCTSKPTPRBCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
US-8252830-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 US disclosed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-03 US disclosed
US-7842708-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-30 US disclosed
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US 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 (4 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 F11 2/4885CTSS 514/4885CTSK 664/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 F11 2/4885CTSS 514/4885CTSK 664/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 F11 2/4885CTSS 514/4885CTSK 664/4885
US-20110028446-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 F11 2/4885CTSS 514/4885CTSK 664/4885

“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.