SCHEMBL7048411

SCHEMBL7048411

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
ITGAV P06756 4/20 0.51
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
CASR P41180 7/20 0.39
CCR2 P41597 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
BTK Q06187 1/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7470398 1.00 ITGB3 (0.51) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7462239 0.98 ITGB3 (0.49) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL382702 0.95 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL382545 0.95 ITGB3 (0.46) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7465258 0.93 ITGB3 (0.51) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7466616 0.92 ITGB3 (0.44) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7474930 0.92 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7469429 0.92 ITGB3 (0.43) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL382763 0.90 ITGB3 (0.48) ITGB3ITGA2BITGAVKDM4EHTT
SCHEMBL7465113 0.89 ITGB3 (0.45) ITGB3ITGA2BITGAVHTTCCR2

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
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGA2B 7/4885ITGAV 2/4885

“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.