SCHEMBL680286

SCHEMBL680286

COc1cccc(Oc2ccc(C(=O)NS(C)(=O)=O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.60
MTNR1B P49286 10/20 0.55
MTNR1A P48039 6/20 0.55
SCN2B O60939 1/20 0.54
SCN1A P35498 1/20 0.54
SCN1B Q07699 1/20 0.54
SCN5A Q14524 1/20 0.54
SCN9A Q15858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
MMP13 P45452 1/20 0.52
AR P10275 1/20 0.49
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL680791 0.88 CA1 (0.61) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL680466 0.86 EZH2 (0.54) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL679983 0.85 ACACB (0.50) SMN1; SMN2NPC1TP53RAB9ABCL2L1
SCHEMBL15101089 0.85 PGR (0.56) PGRMTNR1BMTNR1ASCN9ASMN1; SMN2
SCHEMBL678831 0.85 BCL2L1 (0.52) PGRSCN2BSCN1ASCN1BSCN5A
SCHEMBL680096 0.85 SMN1; SMN2 (0.48) PGRSCN2BSCN1ASCN1BSCN5A
SCHEMBL678903 0.85 BCL2L1 (0.52) PGRSCN2BSCN1ASCN1BSCN5A
SCHEMBL16319187 0.84 MAPK14 (0.56) PGRSCN5ASCN9ASMN1; SMN2NPC1
SCHEMBL2172190 0.84 NPC1 (0.62) SCN2BSCN1ASCN1BSCN5ASCN9A
SCHEMBL679785 0.84 MCL1 (0.62) PGRSCN9ABCL2L1MCL1

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 PGR 3657/4885MTNR1B 579/4885MTNR1A 346/4885

“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.