SCHEMBL7494351

SCHEMBL7494351

CC(C)(C)OC(=O)[C@H](CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)CS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.48
ITGA2B P08514 13/20 0.48
F2R P25116 9/20 0.45
STS P08842 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
TGFBR1 P36897 2/20 0.42
BCHE P06276 1/20 0.41
HTR6 P50406 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7442090 0.85 ITGB3 (0.50) ITGB3ITGA2BF2RKMT2A
SCHEMBL7494355 0.84 ITGB3 (0.48) ITGB3ITGA2BF2RSTSTGFBR1
SCHEMBL7503852 0.84 ITGB3 (0.54) ITGB3ITGA2BF2RSTSKDM4E
SCHEMBL27449834 0.84 ITGB3 (0.46) ITGB3ITGA2BF2RSTSKDM4E
SCHEMBL7503218 0.84 ITGB3 (0.51) ITGB3ITGA2BF2RKMT2A
SCHEMBL7494534 0.84 ITGB3 (0.51) ITGB3ITGA2BF2RSTSKDM4E
SCHEMBL7494346 0.83 ITGB3 (0.51) ITGB3ITGA2BF2RSTS
SCHEMBL7501795 0.83 ITGB3 (0.54) ITGB3ITGA2BF2RSTSKDM4E
SCHEMBL7440093 0.83 KDM4E (0.56) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL7504289 0.82 ITGB3 (0.52) ITGB3ITGA2BF2RSTSKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 ITGB3 52/4885ITGA2B 14/4885F2R 234/4885

“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.