SCHEMBL1104987

SCHEMBL1104987

COc1ccc(C(F)(F)F)cc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.52
SCN9A Q15858 3/20 0.51
GRM1 Q13255 7/20 0.50
GRM5 P41594 6/20 0.50
SCN5A Q14524 2/20 0.48
HTR6 P50406 1/20 0.48
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
PTK2 Q05397 2/20 0.47
ELANE P08246 2/20 0.46
JAK1 P23458 1/20 0.45
NAMPT P43490 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL23721775 0.92 PDK4 (0.52) PDK4SCN9AGRM1GRM5SCN5A
SCHEMBL4538783 0.87 CDK9 (0.55) PDK4GRM1GRM5
SCHEMBL1094340 0.87 TRPV1 (0.45)
SCHEMBL17393489 0.86 PDK4 (0.53) PDK4SCN9AGRM1GRM5SCN5A
SCHEMBL14699163 0.86 PDK4 (0.53) PDK4SCN9AGRM1GRM5SCN5A
SCHEMBL4320016 0.85 CNR1 (0.54) PDK4SCN9AGRM1GRM5HTR6
SCHEMBL30061055 0.84 PDK4 (0.53) PDK4SCN9AGRM1GRM5SCN5A
SCHEMBL30213235 0.83 PDK4 (0.52) PDK4SCN9AGRM1GRM5HTR6
SCHEMBL24028137 0.83 PDK4 (0.52) PDK4SCN9AGRM1GRM5HTR6
SCHEMBL4859866 0.82 PDK4 (0.67) PDK4GRM1GRM5HTR6JAK1

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-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8907101-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2014-12-09 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 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

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 PDK4 961/4885SCN9A 73/4885GRM1 3770/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 PDK4 961/4885SCN9A 73/4885GRM1 3770/4885

“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.