SCHEMBL3498976

SCHEMBL3498976

COC(=O)[C@H](Cc1ccc(OCC2CC2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
ACACB O00763 3/20 0.50
CACNA1B Q00975 2/20 0.49
KLK5 Q9Y337 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
PTPN1 P18031 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
BCL2 P10415 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL3498974 1.00 YAP1 (0.53) YAP1ITGB3ITGA2BACACBCACNA1B
SCHEMBL3500202 0.95 CACNA1B (0.56) YAP1ITGB3ITGA2BACACBCACNA1B
SCHEMBL3500200 0.95 CACNA1B (0.56) YAP1ITGB3ITGA2BACACBCACNA1B
SCHEMBL3743749 0.88 ITGB3 (0.48) YAP1ITGB3ITGA2BACACBCACNA1B
SCHEMBL3743755 0.88 ITGB3 (0.48) YAP1ITGB3ITGA2BACACBCACNA1B
SCHEMBL7329334 0.86 YAP1 (0.50) YAP1ITGB3ITGA2BACACBHRH2
SCHEMBL7329340 0.86 YAP1 (0.50) YAP1ITGB3ITGA2BACACBHRH2
SCHEMBL3997218 0.86 ITGB3 (0.62) YAP1ITGB3ITGA2BCACNA1BHDAC8
SCHEMBL27964318 0.85 ITGB3 (0.49) YAP1ITGB3ITGA2BACACBCACNA1B
SCHEMBL14343115 0.85 ITGB3 (0.49) YAP1ITGB3ITGA2BACACBCACNA1B

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 YAP1 1692/4885ITGB3 2792/4885ITGA2B 2049/4885

“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.