SCHEMBL680496

SCHEMBL680496

Cc1cc(C)cc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SCN9A Q15858 5/20 0.48
ALDH1A1 P00352 1/20 0.46
PTPN1 P18031 1/20 0.45
BCL2L1 Q07817 3/20 0.45
MCL1 Q07820 3/20 0.45
SCN3A Q9NY46 1/20 0.43
P4HTM Q9NXG6 2/20 0.42
MAPK14 Q16539 2/20 0.42
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL680096 0.92 SMN1; SMN2 (0.48) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL679907 0.90 SCN9A (0.50) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL680561 0.89 MMP13 (0.65) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL680466 0.87 EZH2 (0.54) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL679760 0.84 BCL2L1 (0.49) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL679703 0.84 SCN9A (0.49) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL680791 0.83 CA1 (0.61) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL16319859 0.81 MMP1 (0.56) SMN1; SMN2HTTHPGDTSHRSCN9A
SCHEMBL703171 0.81 BCL2L1 (0.59) MMP13SMN1; SMN2HTTHPGDTSHR
SCHEMBL678839 0.80 PPARA (0.47) MMP13SCN9APTPN1P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
US-20120010207-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 (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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A MMP13 4543/4885SMN1; SMN2 282/4885HTT 1281/4885

“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.