Sugi Predict

Sugi Predict / Compounds / SCHEMBL19974555

SCHEMBL19974555

SCHEMBL19974555

O=C(CC1CCN(S(=O)(=O)c2cccnc2)CC1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 17/20 0.62
▸ GPR132 Q9UNW8 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.49
▸ CMKLR2 P46091 1/20 0.49
▸ CMKLR1 Q99788 1/20 0.49

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
SCHEMBL19982221 0.93 YAP1 (0.66) YAP1ALDH1A1
SCHEMBL30117620 0.93 YAP1 (0.66) YAP1ALDH1A1
SCHEMBL28304277 0.92 YAP1 (0.70) YAP1ALDH1A1
SCHEMBL28304269 0.85 YAP1 (0.71) YAP1
SCHEMBL19982173 0.84 YAP1 (0.74) YAP1
SCHEMBL19974586 0.84 YAP1 (0.69) YAP1
SCHEMBL28303027 0.84 YAP1 (0.69) YAP1
SCHEMBL21359098 0.83 YAP1 (0.84) YAP1GPR132CMKLR2CMKLR1
SCHEMBL28905024 0.83 YAP1 (0.84) YAP1GPR132CMKLR2CMKLR1
SCHEMBL19975538 0.82 YAP1 (0.72) YAP1

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
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