SCHEMBL31565931

SCHEMBL31565931

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.41
▸ PLG P00747 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ F10 P00742 3/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ SCN9A Q15858 3/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ DPP4 P27487 3/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38

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
SCHEMBL31566009 0.92 GHSR (0.42) GHSRLIPESCN9AS1PR1KDM4E
SCHEMBL31565905 0.90 ALDH1A1 (0.45) GHSRPLGF2PRSS1PRSS2
SCHEMBL31566079 0.86 KDM4E (0.44) GHSRLIPES1PR1KDM4EDPP4
SCHEMBL31565864 0.86 S1PR1 (0.46) GHSRPLGF2PRSS1PRSS2
SCHEMBL31566054 0.84 ALDH1A1 (0.46) GHSRPLGF2PRSS1PRSS2
SCHEMBL31565857 0.84 LIPE (0.45) GHSRLIPES1PR1KDM4EESR1
SCHEMBL31565962 0.84 S1PR1 (0.50) GHSRLIPES1PR1KDM4EESR1
SCHEMBL31565924 0.83 S1PR1 (0.45) GHSRLIPES1PR1KDM4EESR1
SCHEMBL31565953 0.82 ALDH1A1 (0.43) GHSRLIPEKDM4EESR1ESR2
SCHEMBL31565853 0.82 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 223/4885PLG 4377/4885F2 1399/4885

“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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