SCHEMBL680791

SCHEMBL680791

COc1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
PLK1 P53350 1/20 0.56
PARP10 Q53GL7 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
GFER P55789 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50
F10 P00742 1/20 0.50
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL7985093 0.95 CA1 (0.67) CA1CA2PLK1SMN1; SMN2HTT
SCHEMBL680286 0.88 PGR (0.60) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL680096 0.87 SMN1; SMN2 (0.48) CA1CA2PLK1SMN1; SMN2HTT
SCHEMBL680561 0.87 MMP13 (0.65) SMN1; SMN2HTTHPGDTSHRNPC1
SCHEMBL703171 0.85 BCL2L1 (0.59) SMN1; SMN2HTTHPGDTSHRCYP3A4
SCHEMBL16319859 0.85 MMP1 (0.56) SMN1; SMN2HTTHPGDTSHRNPC1
SCHEMBL679939 0.83 MEN1 (0.60) CA1CA2SMN1; SMN2HTTTSHR
SCHEMBL1690161 0.83 SCN9A (0.47) CA1CA2SMN1; SMN2HTTHPGD
SCHEMBL680289 0.83 MCL1 (0.70) SMN1; SMN2HTTHPGDTSHRNPC1
SCHEMBL680063 0.83 KDM4E (0.54) CA1CA2SMN1; SMN2HTTHPGD

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 CA1 1368/4885CA2 240/4885PLK1 4116/4885

“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.