SCHEMBL31566102

SCHEMBL31566102

NS(=O)(=O)CCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)c(F)c3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ F10 P00742 2/20 0.37
▸ ABHD6 Q9BV23 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36

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
SCHEMBL31565932 0.90 ALDH1A1 (0.47) ALDH1A1ESR1ESR2L3MBTL1KDM4E
SCHEMBL31566113 0.90 ALDH1A1 (0.45) ALDH1A1ESR1ESR2L3MBTL1KDM4E
SCHEMBL31565953 0.87 ALDH1A1 (0.43) ALDH1A1ESR1ESR2L3MBTL1KDM4E
SCHEMBL25429255 0.87 ESR1 (0.42) ALDH1A1ESR1ESR2L3MBTL1TP53
SCHEMBL30519194 0.87 ESR1 (0.42) ALDH1A1ESR1ESR2L3MBTL1TP53
SCHEMBL31565843 0.86 ABHD6 (0.43) ALDH1A1ESR1ESR2L3MBTL1KDM4E
SCHEMBL31566026 0.85 ABHD6 (0.44) ALDH1A1ESR1ESR2L3MBTL1KDM4E
SCHEMBL31565996 0.85 KDM4E (0.40) ALDH1A1ESR1ESR2L3MBTL1KDM4E
SCHEMBL25428585 0.84 HRH3 (0.43) ALDH1A1ESR1ESR2L3MBTL1KDM4E
SCHEMBL30519168 0.84 HRH3 (0.43) ALDH1A1ESR1ESR2L3MBTL1KDM4E

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 ALDH1A1 2760/4885ESR1 998/4885ESR2 797/4885

“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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