SCHEMBL18919095

SCHEMBL18919095

CC1(C)C(C(=O)Nc2ccccc2F)C1c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 12/20 0.54
▸ CA2 P00918 12/20 0.54
▸ CA12 O43570 8/20 0.54
▸ CA9 Q16790 8/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CHRNA7 P36544 2/20 0.45
▸ CA4 P22748 1/20 0.44
▸ CA7 P43166 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CA5A P35218 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL16845445 0.85 CA2 (0.44) CA1CA2CA12CA9CHRNA7
SCHEMBL16819975 0.85 CA2 (0.44) CA1CA2CA12CA9CHRNA7
SCHEMBL18919029 0.85 CA2 (0.44) CA1CA2CA12CA9CHRNA7
SCHEMBL16820020 0.83 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL16845469 0.83 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL16845385 0.82 POLB (0.39) CA1CA2CA12CA9CHRNA7
SCHEMBL18919030 0.82 POLB (0.39) CA1CA2CA12CA9CHRNA7
SCHEMBL18919022 0.81 CA2 (0.45) CA1CA2CA12CA9CYP1A2
SCHEMBL16845435 0.81 SOS1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL16820018 0.81 SOS1 (0.51) CA1CA2CA12CA9CA4

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-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — 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-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I CHRNA7, CHRNA5, CHRNA6 CA1 1704/4885CA2 2747/4885CA12 3185/4885

“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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