SCHEMBL365904

SCHEMBL365904

CC1(C)OB(c2cnc(OCC(F)(F)C(F)F)c(Cl)c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.51
SCN9A Q15858 10/20 0.38
DGAT1 O75907 1/20 0.35
IDH1 O75874 1/20 0.33
MAPK1 P28482 1/20 0.33
ALPL P05186 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL15555039 0.88 AAK1 (0.49) AAK1SCN9ADGAT1IDH1ALPL
SCHEMBL10324441 0.86 AAK1 (0.51) AAK1DGAT1IDH1ALPLPDGFRB
SCHEMBL1690283 0.86 AAK1 (0.51) AAK1DGAT1MAPK1ALPLPDGFRB
SCHEMBL16174992 0.85 AAK1 (0.47) AAK1DGAT1IDH1ALPLPDGFRB
SCHEMBL16175400 0.83 AAK1 (0.47) AAK1SCN9ADGAT1ALPLPDGFRB
SCHEMBL16175289 0.81 AAK1 (0.43) AAK1DGAT1IDH1ALPLPDGFRB
SCHEMBL16175121 0.80 AAK1 (0.46) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL22484225 0.80 AAK1 (0.42) AAK1DGAT1IDH1ALPLPDGFRB
SCHEMBL30864874 0.79 AAK1 (0.45) AAK1DGAT1ALPLPDGFRBKDR
SCHEMBL27314904 0.79 AAK1 (0.45) AAK1DGAT1ALPLPDGFRBKDR

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 20 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
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 US disclosed
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-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
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-2593431-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-22 EP disclosed
EP-2593432-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US 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-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
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
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US 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 AAK1 3006/4885SCN9A 20/4885DGAT1 1019/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A AAK1 1882/4885SCN9A 25/4885DGAT1 891/4885

“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.