SCHEMBL680592

SCHEMBL680592

CCS(=O)(=O)NC(=O)c1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.61
MAPK14 Q16539 2/20 0.52
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MMP2 P08253 3/20 0.51
CYP3A4 P08684 2/20 0.51
STAT3 P40763 1/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
NPC1 O15118 2/20 0.48
MMP9 P14780 2/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL7990728 0.90 HDAC1 (0.59) HTTSMN1; SMN2HDAC1HDAC6ALDH1A1
SCHEMBL365523 0.88 BCL2L1 (0.59) MMP13MAPK14HTTSMN1; SMN2MMP2
SCHEMBL16320154 0.86 MMP1 (0.57) MAPK14HTTSMN1; SMN2CYP3A4HPGD
SCHEMBL363932 0.86 BCL2L1 (0.56) MMP13MAPK14HTTSMN1; SMN2MMP2
SCHEMBL680561 0.84 MMP13 (0.65) MMP13MAPK14HTTSMN1; SMN2MMP2
SCHEMBL7983736 0.82 CA1 (0.62) SMN1; SMN2CYP3A4HDAC1ALDH1A1MAPT
SCHEMBL7985089 0.81 PLK1 (0.65) SMN1; SMN2HPGDALDH1A1MAPTCYP1A2
SCHEMBL21628916 0.80 HDAC6 (0.77) MMP13MAPK14HTTSMN1; SMN2MMP2
SCHEMBL365989 0.79 BCL2L1 (0.50) MMP13MMP2ALDH1A1NPC1MMP9
SCHEMBL7984813 0.79 HDAC1 (0.53) SMN1; SMN2HDAC1HDAC6ALDH1A1NPC1

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 4543/4885MAPK14 1576/4885HTT 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.