SCHEMBL23296255

SCHEMBL23296255

CCOc1ccc(CCC(=O)N2CCC(CC(=O)NC(Cc3ccc(OCc4ccccc4)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.92

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.92
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
GPR34 Q9UPC5 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL19974560 1.00 YAP1 (0.92) YAP1ITGB3ITGA2BGPR34MME
SCHEMBL19974592 0.96 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL19982108 0.96 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL23296225 0.96 YAP1 (1.00) YAP1ITGB3ITGA2BGPR34
SCHEMBL22929172 0.94 YAP1 (0.81) YAP1
SCHEMBL19982223 0.94 YAP1 (1.00) YAP1
SCHEMBL19975539 0.93 YAP1 (0.92) YAP1ITGB3ITGA2BGPR34
SCHEMBL19974570 0.92 YAP1 (0.89) YAP1ITGB3ITGA2BGPR34
SCHEMBL23296265 0.92 YAP1 (0.92) YAP1GPR34
SCHEMBL23296248 0.92 YAP1 (0.92) YAP1GPR34

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-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-05-06 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 (2 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-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC YAP1 1/4885ITGB3 4694/4885ITGA2B 4643/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC YAP1 1/4885ITGB3 4694/4885ITGA2B 4643/4885

“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.