SCHEMBL320305

SCHEMBL320305

O=[N+]([O-])c1nn(C2CCCCO2)cc1-c1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
GLS O94925 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
SLC6A9 P48067 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
AR P10275 2/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL1094302 0.86 MEN1 (0.37) TLR2TLR1CYP4F2CYP4A11AR
SCHEMBL320094 0.85 CYP4F2 (0.35) CYP4F2CYP4A11ABL1
SCHEMBL323521 0.83 IDO1 (0.36) CYP4F2CYP4A11
SCHEMBL1690637 0.81 FGFR1 (0.37)
SCHEMBL327539 0.76 GPR84 (0.34)
SCHEMBL10185631 0.76 RXRA (0.31) ABL1
SCHEMBL17610374 0.73 ATR (0.35) ABL1
SCHEMBL319862 0.69 ALDH1A1 (0.37) ABL1
SCHEMBL15464452 0.68
SCHEMBL9912468 0.68 CYP1A2 (0.35) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2590972-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2015-01-21 EP disclosed
EP-2590972-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2015-01-21 EP disclosed
EP-2590972-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130109667-A1 Chemical Compounds SCN1A, SCN7A, SCN1B TLR2 4028/4885TLR1 2864/4885PIK3CA 795/4885

“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.