SCHEMBL19974553

SCHEMBL19974553

COc1ccc(C[C@H](NC(=O)CC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 16/20 0.75
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
FKBP1A P62942 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
SCHEMBL23296224 1.00 YAP1 (0.75) YAP1ALDH1A1TSHRKMT2AITGB3
SCHEMBL19982260 0.93 YAP1 (0.82) YAP1
SCHEMBL19982259 0.93 YAP1 (0.82) YAP1
SCHEMBL21358971 0.92 YAP1 (0.74) YAP1ITGB3ITGA2B
SCHEMBL21366436 0.92 YAP1 (0.74) YAP1ITGB3ITGA2B
SCHEMBL23296257 0.90 YAP1 (0.82) YAP1KMT2AITGB3ITGA2B
SCHEMBL19974576 0.90 YAP1 (0.82) YAP1KMT2AITGB3ITGA2B
SCHEMBL21359060 0.90 YAP1 (0.75) YAP1ALDH1A1TSHRKMT2A
SCHEMBL21366291 0.90 YAP1 (0.75) YAP1ALDH1A1TSHRKMT2A
SCHEMBL19974551 0.90 YAP1 (0.69) YAP1ITGB3ITGA2B

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
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
EP-3512839-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. Lee Moffitt Cancer Center And Research Institute, Inc. (US) 2019-07-24 EP disclosed
WO-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 WO 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 1/4885ALDH1A1 2858/4885TSHR 2903/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC YAP1 1/4885ALDH1A1 2858/4885TSHR 2903/4885

“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.