SCHEMBL31565899

SCHEMBL31565899

O=C(CC1CS(=O)(=O)C1)N1CCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.41
▸ FAP Q12884 1/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ABHD6 Q9BV23 1/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ BRS3 P32247 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL31565989 0.93 RORC (0.43) LIPEFAPESR1ESR2GHSR
SCHEMBL3992628 0.88 NAMPT (0.48) LIPEFAPESR1ESR2GHSR
SCHEMBL31566094 0.87 ESR1 (0.43) LIPEFAPESR1ESR2GHSR
SCHEMBL31565984 0.85 CCR2 (0.44) LIPEFAPESR1ESR2F10
SCHEMBL31565848 0.85 LIPE (0.45) LIPEESR1ESR2GHSRABHD6
SCHEMBL31565954 0.84 NAMPT (0.44) LIPEFAPESR1ESR2F10
SCHEMBL31566005 0.82 FAP (0.43) LIPEFAPESR1ESR2GHSR
SCHEMBL31565889 0.82 ESR1 (0.47) LIPEESR1ESR2GHSRL3MBTL1
SCHEMBL31565857 0.81 LIPE (0.45) LIPEFAPESR1ESR2GHSR
SCHEMBL31745801 0.81 ESR1 (0.47) LIPEESR1ESR2ABHD6ALDH1A1

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 LIPE 4593/4885FAP 2858/4885ESR1 998/4885

“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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