SCHEMBL31565855

SCHEMBL31565855

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PKM P14618 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ LIPE Q05469 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ MMP2 P08253 3/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ S1PR1 P21453 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MMP3 P08254 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ABHD6 Q9BV23 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ VDR P11473 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
SCHEMBL31565962 0.90 S1PR1 (0.50) ALDH1A1RAB9APKMESR1ESR2
SCHEMBL31565916 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1NPC1RAB9APKM
SCHEMBL31565894 0.90 NPC1 (0.44) ALDH1A1L3MBTL1NPC1RAB9APKM
SCHEMBL31566058 0.87 ESR1 (0.45) ALDH1A1L3MBTL1ESR1ESR2LIPE
SCHEMBL31565889 0.85 ESR1 (0.47) ALDH1A1L3MBTL1ESR1ESR2LIPE
SCHEMBL31565830 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1RAB9AESR1ESR2
SCHEMBL31565831 0.85 ESR1 (0.43) ALDH1A1ESR1ESR2LIPEGHSR
SCHEMBL31566054 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AESR1
SCHEMBL31566040 0.85 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9AESR1
SCHEMBL25968671 0.85 ESR1 (0.43) ALDH1A1ESR1ESR2LIPEGHSR

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 2760/4885L3MBTL1 1076/4885NPC1 1202/4885

“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.

Send feedback