SCHEMBL16845445

SCHEMBL16845445

Cc1cc(F)c(F)cc1NC(=O)[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.44
▸ CA1 P00915 9/20 0.44
▸ CA9 Q16790 8/20 0.44
▸ CA12 O43570 5/20 0.44
▸ SLC9A1 P19634 2/20 0.44
▸ PTGS2 P35354 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ CHRNA7 P36544 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SOS1 Q07889 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
SCHEMBL16819975 1.00 CA2 (0.44) CA2CA1CA9CA12SLC9A1
SCHEMBL18919029 1.00 CA2 (0.44) CA2CA1CA9CA12SLC9A1
SCHEMBL16845454 0.93 CA2 (0.45) CA2CA1CA9CA12SLC9A1
SCHEMBL16819950 0.89 CA2 (0.44) CA2CA1CA9CA12SLC9A1
SCHEMBL16819942 0.89 POLB (0.43) CA2CA1CA9CA12SLC9A1
SCHEMBL16819981 0.89 POLB (0.43) CA2CA1CA9CA12SLC9A1
SCHEMBL16820019 0.85 MAPT (0.46) CA2CA1CA9CA12POLB
SCHEMBL16845529 0.85 MAPT (0.46) CA2CA1CA9CA12POLB
SCHEMBL16845435 0.85 SOS1 (0.51) CA2CA1CA9CA12SLC9A1
SCHEMBL18919095 0.85 CA1 (0.54) CA2CA1CA9CA12CHRNA7

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 5 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-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 CA2 2747/4885CA1 1704/4885CA9 3394/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 CA2 2752/4885CA1 2274/4885CA9 3757/4885

“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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