SCHEMBL16819997

SCHEMBL16819997

NS(=O)(=O)c1ccc([C@@H]2C[C@H]2C(=O)Nc2cc(F)ccc2OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ LTB4R Q15722 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HDAC3 O15379 3/20 0.40
▸ NCOR2 Q9Y618 3/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 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
SCHEMBL16819970 1.00 ROCK2 (0.43) ROCK2JAK3ROCK1IKBKBJAK1
SCHEMBL16820011 0.85 HDAC3 (0.51) LTB4RNAMPTHDAC3NCOR2HDAC1
SCHEMBL16819996 0.85 HDAC3 (0.51) LTB4RNAMPTHDAC3NCOR2HDAC1
SCHEMBL16820010 0.80 RORC (0.38) CA1CA2CA12CA9RORC
SCHEMBL16845461 0.80 RORC (0.38) CA1CA2CA12CA9RORC
SCHEMBL16819916 0.79 SOS1 (0.38) CA1CA2CA12RORCCA7
SCHEMBL16819968 0.79 SOS1 (0.38) CA1CA2CA12RORCCA7
SCHEMBL16845356 0.77 CA1 (0.59) NAMPTCYP3A4HDAC3NCOR2HDAC1
SCHEMBL15557284 0.77 CA1 (0.59) NAMPTCYP3A4HDAC3NCOR2HDAC1
SCHEMBL16819926 0.77 CA1 (0.59) NAMPTCYP3A4HDAC3NCOR2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111728961-B Medicine composition for treating senile dementia and application thereof 牡丹江医学院 2021-06-15 — — CN claimed
CN-111728961-A Medicine composition for treating senile dementia and application thereof 牡丹江医学院 2020-10-02 — — CN claimed
CN-111728961-B Medicine composition for treating senile dementia and application thereof 牡丹江医学院 2021-06-15 — — CN disclosed
CN-111728961-B Medicine composition for treating senile dementia and application thereof 牡丹江医学院 2021-06-15 — — CN disclosed
CN-111728961-A Medicine composition for treating senile dementia and application thereof 牡丹江医学院 2020-10-02 — — CN disclosed
CN-111728961-A Medicine composition for treating senile dementia and application thereof 牡丹江医学院 2020-10-02 — — CN disclosed
EP-2888229-B1 alpha7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-02-06 — — EP disclosed
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-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
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 ROCK2 3080/4885JAK3 3295/4885ROCK1 2164/4885
US-20150175534-A1 Alpha-7 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS AND USES THEROF-I CHRNA7, CHRNA6, CHRNA5 ROCK2 4250/4885JAK3 3903/4885ROCK1 3661/4885

“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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