SCHEMBL7498599

SCHEMBL7498599

COC(=O)[C@H](CCc1ccc(OC)c(OC)c1)CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
F2R P25116 1/20 0.42

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
SCHEMBL7500231 0.95 ITGB3 (0.45) KMT2AHTTITGB3ITGA2BNPC1
SCHEMBL7499585 0.89 ITGB3 (0.47) KMT2AITGB3ITGA2BALDH1A1MAPT
SCHEMBL7843159 0.89 ITGB3 (0.46) ITGB3ITGA2BNPC1RAB9AALDH1A1
SCHEMBL7501495 0.88 ITGB3 (0.49) KMT2AITGB3ITGA2BTSHRALDH1A1
SCHEMBL7438627 0.86 KMT2A (0.44) KMT2AHTTNPC1RAB9ATSHR
SCHEMBL7500177 0.86 ITGB3 (0.46) ITGB3ITGA2BKDM4EF2R
SCHEMBL7498602 0.86 ITGB3 (0.49) KMT2AHTTITGB3ITGA2BNPC1
SCHEMBL7498595 0.85 ITGB3 (0.48) KMT2AHTTITGB3ITGA2BF2R
SCHEMBL7500224 0.85 ITGB3 (0.53) ITGB3ITGA2BF2R
SCHEMBL7492120 0.85 ITGB3 (0.47) KMT2AITGB3ITGA2BNPC1RAB9A

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-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
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 KMT2A 3535/4885HTT 2480/4885ITGB3 52/4885

“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.