SCHEMBL25180304

SCHEMBL25180304

Cc1ccc([C@H](N[S+]([O-])C(C)(C)C)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25180305 1.00 CTSL (0.34) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL23898828 1.00 CTSL (0.34) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL22713257 0.87 CTSL (0.36) CTSLCTSBCTSSCTSK
SCHEMBL22713255 0.87 CTSL (0.36) CTSLCTSBCTSSCTSK
SCHEMBL29504005 0.87 CTSL (0.36) CTSLCTSBCTSSCTSK
SCHEMBL25180313 0.87 CTSL (0.36) CTSLCTSBCTSSCTSK
SCHEMBL25180311 0.87 CTSL (0.36) CTSLCTSBCTSSCTSK
SCHEMBL23898751 0.87 CTSL (0.36) CTSLCTSBCTSSCTSK
SCHEMBL22713253 0.87 CTSL (0.36) CTSLCTSBCTSSCTSK
SCHEMBL21273153 0.85 CTSK (0.37) CTSLCTSBCTSSCTSKALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 EP 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-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR5 CTSL 1777/4885CTSB 2114/4885CTSS 1634/4885

“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.