SCHEMBL1813756

SCHEMBL1813756

COc1cc(F)cc(F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.38
▸ TUBB1 Q9H4B7 3/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL1042771 0.80 TAAR1 (0.44) TUBB1SMN1; SMN2GAALMNAMAPK1
SCHEMBL2669934 0.80 FFAR4 (0.38) TUBB1AMY1ANPC1RAB9ASMN1; SMN2
SCHEMBL11036236 0.79 TUBB1 (0.37) TUBB1AMY1ANPC1RAB9AGAA
SCHEMBL27477446 0.78 GAA (0.45) TUBB1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL24952849 0.78 GAA (0.41) TUBB1NPC1GAAMAPK1HTT
SCHEMBL3155200 0.78 CYP3A4 (0.50) TUBB1RAB9ANFE2L2LMNAMAPK1
SCHEMBL935576 0.78 ERN1 (0.38) TUBB1HTR6NPC1GAAACHE
SCHEMBL30103861 0.78 GAA (0.41) TUBB1NPC1GAAMAPK1HTT
SCHEMBL28034032 0.77 L3MBTL1 (0.38) SCN9ATUBB1RAB9AHTT
SCHEMBL10086105 0.76 TUBB1 (0.42) SCN9ATUBB1RAB9ANFE2L2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 — — US claimed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 — — US claimed
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 — — EP disclosed
US-9018383-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-04-28 — — US disclosed
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-03-27 — — US disclosed
US-8618304-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-12-31 — — US disclosed
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 — — US disclosed
EP-2496556-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-12 — — EP disclosed
WO-2011053948-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-05-05 — — WO disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
US-5897940-A Ink jet transparencies XEROX CORPORATION (US) 1999-04-27 — — US disclosed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 — — 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 (3 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-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 SCN9A 3363/4885TUBB1 3680/4885AMY1A 4515/4885
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SCN9A 2876/4885TUBB1 3151/4885AMY1A 3337/4885
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 SCN9A 3363/4885TUBB1 3680/4885AMY1A 4515/4885

“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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