SCHEMBL16819916

SCHEMBL16819916

NS(=O)(=O)c1ccc([C@@H]2C[C@H]2CNc2cc(F)ccc2OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.38
▸ CHRNA7 P36544 5/20 0.38
▸ HTR2A P28223 4/20 0.35
▸ HTR2C P28335 4/20 0.35
▸ HTR2B P41595 4/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ ACHE P22303 1/20 0.34

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
SCHEMBL16819968 1.00 SOS1 (0.38) SOS1CHRNA7HTR2AHTR2CHTR2B
SCHEMBL16820012 0.80 CHRNA7 (0.37) SOS1CHRNA7SLC6A4SLC6A3CA1
SCHEMBL16845396 0.80 CHRNA7 (0.37) SOS1CHRNA7SLC6A4SLC6A3CA1
SCHEMBL16819997 0.79 ROCK2 (0.43) CA1CA2CA12CA7RORC
SCHEMBL16819970 0.79 ROCK2 (0.43) CA1CA2CA12CA7RORC
SCHEMBL16819933 0.77 CHRNA7 (0.50) SOS1CHRNA7HTR2AHTR2CHTR2B
SCHEMBL16845536 0.77 CHRNA7 (0.50) SOS1CHRNA7HTR2AHTR2CHTR2B
SCHEMBL16819925 0.77 CHRNA7 (0.50) SOS1CHRNA7HTR2AHTR2CHTR2B
SCHEMBL15557156 0.75 ALDH1A1 (0.50) CA1CA2CA12CA7ACHE
SCHEMBL16845430 0.75 ALDH1A1 (0.50) CA1CA2CA12CA7ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 — — EP disclosed
US-9790173-B2 Alpha-7 nicotinic acetylcholine receptor modulators and uses thereof-I MERCK SHARP & DOHME CORP. (US) 2017-10-17 — — US disclosed
US-20170158628-A1 ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF-I MERCK SHARP & DOHME CORP. (US) 2017-06-08 — — US disclosed
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I MERCK SHARP & DOHME CORP. 2015-06-25 — — 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 (2 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 SOS1 4309/4885CHRNA7 1/4885HTR2A 610/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 SOS1 4266/4885CHRNA7 1/4885HTR2A 349/4885

“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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