SCHEMBL2440136

SCHEMBL2440136

CC(C)C(NCc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.53
ITGB3 P05106 2/20 0.51
ITGB1 P05556 2/20 0.51
ITGAV P06756 2/20 0.51
ITGA5 P08648 2/20 0.51
CTSK P43235 1/20 0.50
SDCBP O00560 1/20 0.49
SDC2 P34741 1/20 0.49
MMP2 P08253 3/20 0.49
MMP1 P03956 2/20 0.49
MMP3 P08254 2/20 0.49
MMP7 P09237 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
MAPK1 P28482 1/20 0.49
MMP14 P50281 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MEP1B Q16820 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2014415 1.00 FPR2 (0.53) FPR2ITGB3ITGB1ITGAVITGA5
SCHEMBL5191620 0.87 FPR2 (0.59) FPR2ITGB3ITGB1ITGAVITGA5
SCHEMBL14506086 0.87 ITGB3 (0.48) FPR2ITGB3ITGB1ITGAVITGA5
SCHEMBL14520629 0.85 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5MMP2
SCHEMBL12572489 0.85 ITGB3 (0.52) ITGB3ITGB1ITGAVITGA5MMP2
SCHEMBL8065362 0.84 ALDH1A1 (0.62) ITGB3ITGB1ITGAVITGA5MAPK1
SCHEMBL29060375 0.84 ALDH1A1 (0.62) ITGB3ITGB1ITGAVITGA5MAPK1
SCHEMBL8349459 0.84 ALDH1A1 (0.62) ITGB3ITGB1ITGAVITGA5MAPK1
SCHEMBL2443868 0.84 GAA (0.51) ITGB3ITGB1ITGAVITGA5CTSK
SCHEMBL5191624 0.84 GAA (0.51) ITGB3ITGB1ITGAVITGA5CTSK

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-8492577-B2 Process for preparation of valsartan intermediate HETERO RESEARCH FOUNDATION (IN) 2013-07-23 US disclosed
US-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-09-29 US disclosed
EP-2260018-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-15 EP disclosed
WO-2009125416-A2 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2009-10-15 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-20110237822-A1 PROCESS FOR PREPARATION OF VALSARTAN INTERMEDIATE REN, AGT, ACE FPR2 2326/4885ITGB3 3298/4885ITGB1 4261/4885

“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.