SCHEMBL1487432

SCHEMBL1487432

CC1(C)SCN(S(=O)(=O)c2ccccc2)C1C(=O)NC(CNC(=O)NCc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.89
ITGA2 P17301 7/20 0.89
ITGAV P06756 1/20 0.53
ITGA4 P13612 1/20 0.52
MMP1 P03956 6/20 0.44
MMP3 P08254 5/20 0.44
MMP7 P09237 5/20 0.44
MMP13 P45452 5/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
FKBP1A P62942 1/20 0.38
KCNA5 P22460 1/20 0.37
ADAM17 P78536 1/20 0.37
ITGA5 P08648 1/20 0.37

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
SCHEMBL4253453 0.94 ITGB1 (1.00) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL31001648 0.94 ITGB1 (1.00) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL21376388 0.94 ITGB1 (1.00) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL12084520 0.94 ITGB1 (1.00) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL1487440 0.92 ITGB1 (0.90) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL1487388 0.92 ITGB1 (0.89) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL1487415 0.92 ITGB1 (0.89) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL1487437 0.90 ITGB1 (0.84) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL1487451 0.88 ITGB1 (0.82) ITGB1ITGA2ITGAVITGA4MMP1
SCHEMBL1487435 0.88 ITGB1 (0.84) ITGB1ITGA2ITGAVITGA4MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US claimed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US claimed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 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 (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-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY ITGA2B, ITGA2, ITGB2 ITGB1 4/4885ITGA2 2/4885ITGAV 12/4885

“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.