SCHEMBL7053630

SCHEMBL7053630

O=C(CCNC(=O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1F)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.55
ITGAV P06756 3/20 0.55
ITGA2B P08514 3/20 0.55
MAPK1 P28482 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
BTK Q06187 1/20 0.35
USP5 P45974 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
USP30 Q70CQ3 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
IDH1 O75874 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7465113 0.91 ITGB3 (0.45) ITGB3ITGAVITGA2BBTKSMN1; SMN2
SCHEMBL7466517 0.91 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7048411 0.89 ITGB3 (0.51) ITGB3ITGAVITGA2BBTKALDH1A1
SCHEMBL7470398 0.89 ITGB3 (0.51) ITGB3ITGAVITGA2BBTKALDH1A1
SCHEMBL7469429 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BKDM4E
SCHEMBL7474930 0.88 ITGB3 (0.43) ITGB3ITGAVITGA2BKDM4E
SCHEMBL7468383 0.87 ITGB3 (0.41) ITGB3ITGAVITGA2BBTKALDH1A1
SCHEMBL7462239 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1KDM4E
SCHEMBL7457808 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2BBTKALDH1A1
SCHEMBL7464674 0.86 ITGB3 (0.45) ITGB3ITGAVITGA2BBTKALDH1A1

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 1/4885ITGAV 2/4885ITGA2B 7/4885

“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.