SCHEMBL319582

SCHEMBL319582

Oc1cc(F)c(C(F)(F)F)cc1-c1ccnnc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.41
KIF11 P52732 3/20 0.40
MPL P40238 2/20 0.36
CYP11B2 P19099 5/20 0.36
WNT3A P56704 4/20 0.35
S1PR1 P21453 1/20 0.35
CYP11B1 P15538 3/20 0.35
GPR3 P46089 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
SCHEMBL321081 0.94 SCN9A (0.41) SCN9AKIF11MPLCYP11B2WNT3A
SCHEMBL17432884 0.81 SCN9A (0.47) SCN9ACYP11B2S1PR1CYP11B1
SCHEMBL17430833 0.79 SCN9A (0.50) SCN9A
SCHEMBL16119862 0.78 SCN9A (0.45) SCN9AWNT3AS1PR1
SCHEMBL29131925 0.75 HSD17B1 (0.48) KIF11WNT3AS1PR1
SCHEMBL320908 0.75 S1PR1 (0.46) SCN9AKIF11S1PR1
SCHEMBL321946 0.75 TRPA1 (0.46) SCN9AWNT3A
SCHEMBL20403820 0.74 SCN9A (0.42) SCN9AWNT3AS1PR1
SCHEMBL321961 0.74 NOTUM (0.49)
SCHEMBL29131926 0.73 ALOX5AP (0.50) SCN9AKIF11S1PR1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
EP-2970156-B1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH INC (US) 2018-07-25 EP disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
EP-2970156-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
US-9145407-B2 Sulfonamide compounds PFIZER LIMITED (GB) 2015-09-29 US disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
EP-2385938-B1 SULFONAMIDE DERIVATIVES PFIZER LTD (GB) 2015-03-04 EP disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
EP-2385938-A1 SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2011-11-16 EP disclosed
US-8040476-B2 Display device and method of producing the same MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 WO 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 SCN9A 73/4885KIF11 2498/4885MPL 3545/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 SCN9A 1798/4885KIF11 4545/4885MPL 2870/4885

“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.