SCHEMBL2011891

SCHEMBL2011891

CC(C)[C@H](NCc1ccc(I)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.51
ITGA5 P08648 4/20 0.51
ITGB3 P05106 3/20 0.51
ITGAV P06756 3/20 0.51
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 1/20 0.46
ADAMTS4 O75173 3/20 0.43
MMP13 P45452 1/20 0.43
MEP1B Q16820 2/20 0.43
HSD17B10 Q99714 1/20 0.40
HCRTR2 O43614 1/20 0.39

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
SCHEMBL14520629 0.85 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL12572489 0.85 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL29060375 0.84 ALDH1A1 (0.62) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL8065362 0.84 ALDH1A1 (0.62) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL8349459 0.84 ALDH1A1 (0.62) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL2014415 0.83 FPR2 (0.53) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL29664208 0.83 ITGB1 (0.71) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL19581783 0.83 MAPK1 (0.68) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL2440136 0.83 FPR2 (0.53) ITGB1ITGA5ITGB3ITGAVMAPK1
SCHEMBL19581784 0.83 MAPK1 (0.68) ITGB1ITGA5ITGB3ITGAVMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964749-B2 Process for obtaining valine derivatives useful for obtaining a pharmaceutically active compound INKE, S.A. (ES) 2011-06-21 US disclosed
US-20100240919-A1 Process For Obtaining Valine Derivatives Useful For Obtaining A Pharmaceutically Active Compound INKE, S.A. (ES) 2010-09-23 US disclosed
US-7728021-B2 Process for the preparation of Valsartan and precursors thereof INKE, S.A. (ES) 2010-06-01 US disclosed
EP-1937654-B1 PROCESS FOR OBTAINING VALINE DERIVATIVES USEFUL FOR OBTAINING A PHARMACEUTICALLY ACTIVE COMPOUND INKE SA (ES) 2009-11-11 EP disclosed
US-20090221836-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF INKE, S.A. (ES) 2009-09-03 US disclosed
EP-1747190-B1 PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF INKE SA (ES) 2008-07-16 EP disclosed
EP-1937654-A1 PROCESS FOR OBTAINING VALINE DERIVATIVES USEFUL FOR OBTAINING A PHARMACEUTICALLY ACTIVE COMPOUND INKE, S.A. (ES) 2008-07-02 EP disclosed
WO-2007045675-A1 PROCESS FOR OBTAINING VALINE DERIVATIVES USEFUL FOR OBTAINING A PHARMACEUTICALLY ACTIVE COMPOUND INKE, S.A. (ES) 2007-04-26 WO disclosed
EP-1747190-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF INKE, S.A. (ES) 2007-01-31 EP disclosed
WO-2005102987-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF INKE, S.A. (ES) 2005-11-03 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 (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-20100240919-A1 Process For Obtaining Valine Derivatives Useful For Obtaining A Pharmaceutically Active Compound AGT, AVPR2, AGTR2 ITGB1 2587/4885ITGA5 1905/4885ITGB3 501/4885
US-20090221836-A1 PROCESS FOR THE PREPARATION OF VALSARTAN AND PRECURSORS THEREOF REN, AGT, NPPA ITGB1 4045/4885ITGA5 1658/4885ITGB3 2895/4885

“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.