SCHEMBL31565831

SCHEMBL31565831

CS(=O)(=O)CCC(=O)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LIPE Q05469 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABHD6 Q9BV23 1/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL25968671 1.00 ESR1 (0.43) ESR1ESR2ALDH1A1LIPEKDM4E
SCHEMBL31566053 0.95 ESR1 (0.43) ESR1ESR2ALDH1A1LIPEKDM4E
SCHEMBL31565933 0.91 ALDH1A1 (0.47) ESR1ESR2ALDH1A1LIPEKDM4E
SCHEMBL31566042 0.90 ALDH1A1 (0.45) ESR1ESR2ALDH1A1LIPEKDM4E
SCHEMBL31565953 0.90 ALDH1A1 (0.43) ESR1ESR2ALDH1A1LIPEKDM4E
SCHEMBL31566058 0.90 ESR1 (0.45) ESR1ESR2ALDH1A1LIPEMMP2
SCHEMBL31565853 0.88 ESR1 (0.45) ESR1ESR2LIPEKDM4EKMT2A
SCHEMBL31565857 0.87 LIPE (0.45) ESR1ESR2ALDH1A1LIPEKDM4E
SCHEMBL31566113 0.87 ALDH1A1 (0.45) ESR1ESR2ALDH1A1KDM4EKMT2A
SCHEMBL31565962 0.87 S1PR1 (0.50) ESR1ESR2ALDH1A1LIPEKDM4E

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

“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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