SCHEMBL679991

SCHEMBL679991

CCOc1ccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.59
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 2/20 0.52
HPGD P15428 1/20 0.52
SCN3A Q9NY46 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
PARP10 Q53GL7 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LTA4H P09960 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
SCHEMBL7990905 0.95 PLK1 (0.65) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL679983 0.89 ACACB (0.50) PLK1NPC1RAB9ASCN3ALMNA
SCHEMBL680509 0.85 SCN3A (0.50) PLK1NPC1RAB9AHPGDSCN3A
SCHEMBL17154224 0.83 PLK1 (0.67) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL7985776 0.83 MMP1 (0.61) PLK1NPC1RAB9ASCN3ALMNA
SCHEMBL680561 0.83 MMP13 (0.65) NPC1RAB9ANPSR1HPGDSCN3A
SCHEMBL680791 0.83 CA1 (0.61) PLK1NPC1RAB9AHPGDALDH1A1
SCHEMBL7985089 0.83 PLK1 (0.65) PLK1NPC1RAB9ANPSR1HPGD
SCHEMBL680963 0.82 HDAC3 (0.57) NPC1RAB9AHPGDSCN3AALDH1A1
SCHEMBL16319859 0.81 MMP1 (0.56) NPC1RAB9ANPSR1HPGDALDH1A1

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 PLK1 4116/4885NPC1 1918/4885RAB9A 968/4885

“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.