SCHEMBL21097310

SCHEMBL21097310

O=S(=O)(c1ccc(F)cc1)n1nccc1N1CCCC1c1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 0.37
▸ PSENEN Q9NZ42 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ HTT P42858 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
SCHEMBL21097309 1.00 TRPA1 (0.48) TRPA1KDM4EL3MBTL1GAACYP3A4
SCHEMBL21097302 0.82 GRIA4 (0.36) TRPA1NR3C2PSEN1PSEN2APH1B
SCHEMBL21097301 0.82 GRIA4 (0.36) TRPA1NR3C2PSEN1PSEN2APH1B
SCHEMBL21097342 0.81 ALDH1A1 (0.36) TRPA1KDM4EHTT
SCHEMBL21097345 0.81 ALDH1A1 (0.36) TRPA1KDM4EHTT
SCHEMBL21097344 0.81 NTRK1 (0.38) —
SCHEMBL21097346 0.81 NTRK1 (0.38) —
SCHEMBL21097340 0.76 PTGS1 (0.44) —
SCHEMBL21097343 0.76 PTGS1 (0.44) —
SCHEMBL21097329 0.74 NTRK1 (0.49) —

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-10344031-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2019-07-09 — — US claimed

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-10344031-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors MUSK, DMPK, PNCK TRPA1 3192/4885KDM4E 2770/4885L3MBTL1 4441/4885

“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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