SCHEMBL7508451

SCHEMBL7508451

CCCCS(=O)(=O)N[C@@](C)(NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.41
ITGA2B P08514 15/20 0.41
F2R P25116 10/20 0.41
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
STS P08842 1/20 0.35

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
SCHEMBL7496489 0.85 ITGB3 (0.43) ITGB3ITGA2BF2RTSHRMEN1
SCHEMBL7494542 0.84 ALDH1A1 (0.45) ITGB3ITGA2BF2RTSHRALDH1A1
SCHEMBL7508442 0.82 ITGB3 (0.45) ITGB3ITGA2BF2R
SCHEMBL7436168 0.82 ITGB3 (0.41) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7508447 0.81 ITGB3 (0.45) ITGB3ITGA2BF2RTSHR
SCHEMBL7498844 0.80 KDM4E (0.50) ITGB3ITGA2BF2RTSHRALDH1A1
SCHEMBL7508343 0.79 ITGB3 (0.46) ITGB3ITGA2BF2RHPGD
SCHEMBL7508339 0.79 ITGB3 (0.44) ITGB3ITGA2BF2RMEN1ALDH1A1
SCHEMBL7497238 0.78 ITGB3 (0.49) ITGB3ITGA2BF2R
SCHEMBL7497231 0.78 ITGB3 (0.51) ITGB3ITGA2BF2R

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
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-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 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-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.