SCHEMBL365031

SCHEMBL365031

Oc1cnc(OCCC(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 5/20 0.35
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
SCN9A Q15858 3/20 0.32
LMNA P02545 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.31
APP P05067 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL15094149 0.83 RAB9A (0.43) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL15670289 0.81 SMN1; SMN2 (0.37) RAB9AMRGPRX4SMN1; SMN2EPHX2CDK1
SCHEMBL15350290 0.79 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2EPHX2SCN9A
SCHEMBL15350633 0.78 EPHX2 (0.41) MRGPRX4MAPK1SMN1; SMN2EPHX2SCN9A
SCHEMBL15094325 0.77 RAB9A (0.42) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL16175019 0.77 RAB9A (0.39) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL15358624 0.77 EPHX2 (0.36) MRGPRX4SMN1; SMN2EPHX2CDK1CDK2
SCHEMBL28012429 0.76 EPHX2 (0.40) MRGPRX4SMN1; SMN2EPHX2SCN9ALMNA
SCHEMBL363857 0.75 SCN9A (0.49) RAB9AMRGPRX4MAPK1SMN1; SMN2SCN9A
SCHEMBL16177396 0.74 RORC (0.41) RAB9AMRGPRX4MAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 US disclosed
EP-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed
US-8592629-B2 Sulfonamide derivatives as Nav 1.7 inhibitors PFIZER LIMITED (GB) 2013-11-26 US disclosed
EP-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
EP-2593431-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007869-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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-20130109708-A1 Chemical Compounds SCN1A, SCN1B, SCN7A RAB9A 1215/4885MRGPRX4 761/4885MAPK1 222/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A RAB9A 1252/4885MRGPRX4 342/4885MAPK1 147/4885

“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.