SCHEMBL1920768

SCHEMBL1920768

CC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(c1)CS(=O)(=O)C2)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.54
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
PTPN1 P18031 1/20 0.49
CTSS P25774 10/20 0.47
CTSK P43235 9/20 0.47
CTSB P07858 4/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
PPARD Q03181 2/20 0.45
CTSL P07711 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45

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
SCHEMBL1197017 0.87 PPARA (0.48) ACEPTPN1CTSSCTSKCTSB
SCHEMBL9743083 0.85 ACE (0.57) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL9743071 0.85 ACE (0.57) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL11032508 0.80 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL8657006 0.80 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL1197153 0.79 ACE (0.51) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL10099987 0.78 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL1172086 0.78 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL17933020 0.78 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS
SCHEMBL30829409 0.78 ACE (0.60) ACEITGB3ITGA2BPTPN1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP 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 (2 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ACE 117/4885ITGB3 1267/4885ITGA2B 482/4885
US-20100022506-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 ACE 117/4885ITGB3 1267/4885ITGA2B 482/4885

“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.