SCHEMBL6936349

SCHEMBL6936349

CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)N[C@](C)(NC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.53
ITGA2B P08514 10/20 0.53
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STS P08842 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
F2R P25116 4/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
YAP1 P46937 3/20 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
SCHEMBL6936065 0.96 ITGB3 (0.51) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL6935801 0.96 ITGB3 (0.52) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL6539432 0.96 ITGB3 (0.52) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7501275 0.94 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7502464 0.90 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7496206 0.90 ITGB3 (0.51) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7494017 0.89 ITGB3 (0.51) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL6540119 0.87 ITGB3 (0.50) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7498526 0.84 ITGB3 (0.49) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7498844 0.84 KDM4E (0.50) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114488-A1 New processes for producing beta-alanine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-19 US disclosed
US-6538007-B1 Hydrates and method of antogonizing glycoprotein IIb/IIIa activity using these compounds is also disclosed. antagonist, inhibitor of blood platelets aggregation and inhibitor of the binding of fibrinogen to blood platelets. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US 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-20030114488-A1 New processes for producing beta-alanine derivatives BCAT1, BCAT2, AGXT ITGB3 3266/4885ITGA2B 3019/4885NPC1 1085/4885

“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.