SCHEMBL31566009

SCHEMBL31566009

NC(=O)NCCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.42
▸ LIPE Q05469 1/20 0.41
▸ SCN9A Q15858 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ DPP4 P27487 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL31565931 0.92 GHSR (0.41) GHSRLIPESCN9AKDM4ES1PR1
SCHEMBL31566054 0.90 ALDH1A1 (0.46) GHSRLIPESCN9AESR1ESR2
SCHEMBL31566079 0.88 KDM4E (0.44) GHSRLIPEKDM4ES1PR1DPP4
SCHEMBL31565864 0.88 S1PR1 (0.46) GHSRLIPEKDM4ES1PR1ESR1
SCHEMBL31565857 0.86 LIPE (0.45) GHSRLIPEKDM4ES1PR1ESR1
SCHEMBL31565962 0.85 S1PR1 (0.50) GHSRLIPEKDM4ES1PR1ESR1
SCHEMBL31565924 0.85 S1PR1 (0.45) GHSRLIPEKDM4ES1PR1ESR1
SCHEMBL31565905 0.84 ALDH1A1 (0.45) GHSRLIPESCN9AESR1ESR2
SCHEMBL31565946 0.84 ESR1 (0.47) GHSRLIPESCN9AKDM4EESR1
SCHEMBL31565853 0.84 ESR1 (0.45) GHSRLIPEKDM4EESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2025-04-24 — — 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-20250129028-A1 COMPOUNDS AND METHODS FOR YAP/TEAD MODULATION AND INDICATIONS THEREFOR YAP1, YES1, LATS1 GHSR 223/4885LIPE 4593/4885SCN9A 1683/4885

“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.

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