SCHEMBL680063

SCHEMBL680063

CC(C)c1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
SCN9A Q15858 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
SCN5A Q14524 1/20 0.46
BCL2L1 Q07817 2/20 0.45
MCL1 Q07820 2/20 0.45
MMP13 P45452 3/20 0.44
CXCR2 P25025 1/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 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
SCHEMBL17971206 0.91 KDM4E (0.62) KDM4ELMNASCN9ASMN1; SMN2HPGD
SCHEMBL679782 0.86 SCN9A (0.50) KDM4ELMNASCN9ASMN1; SMN2HPGD
SCHEMBL16319859 0.84 MMP1 (0.56) LMNASCN9ASMN1; SMN2HPGDTSHR
SCHEMBL21628436 0.84 HDAC6 (0.59) SMN1; SMN2HPGDTSHRHTTNPC1
SCHEMBL680561 0.83 MMP13 (0.65) SCN9ASMN1; SMN2HPGDTSHRHTT
SCHEMBL680791 0.83 CA1 (0.61) SMN1; SMN2HPGDTSHRHTTNPC1
SCHEMBL703171 0.81 BCL2L1 (0.59) SCN9ASMN1; SMN2HPGDTSHRHTT
SCHEMBL20482354 0.81 SMN1; SMN2 (0.76) SMN1; SMN2HPGDTSHRHTTNPC1
SCHEMBL680556 0.79 SCN9A (0.68) SCN9ASMN1; SMN2HPGDTSHRHTT
SCHEMBL680849 0.79 PTPN1 (0.52) LMNASCN9ASMN1; SMN2HPGDTSHR

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 KDM4E 3006/4885LMNA 2892/4885SCN9A 13/4885

“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.