SCHEMBL18586262

SCHEMBL18586262

OCCCOc1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3324430 0.87 CYP11B1 (0.39) L3MBTL1PTGDR2ALDH1A1HTTKMT2A
SCHEMBL18586988 0.85 L3MBTL1 (0.43) F2PLAUST14L3MBTL1PTGDR2
SCHEMBL18586252 0.83 KDM4E (0.48) F2PLAUST14L3MBTL1ALDH1A1
SCHEMBL8161648 0.80 ALDH1A1 (0.44) L3MBTL1PTGDR2ALDH1A1SMN1; SMN2HTT
SCHEMBL23648160 0.79 SLC6A4 (0.45) L3MBTL1PTGDR2ALDH1A1HTTKMT2A
SCHEMBL11835026 0.78 L3MBTL1 (0.46) L3MBTL1PTGDR2ALDH1A1SMN1; SMN2HTT
SCHEMBL1440131 0.78 CYP1A2 (0.54) L3MBTL1ALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL11443005 0.78 MAPK1 (0.52) F2PLAUST14L3MBTL1ALDH1A1
SCHEMBL2103750 0.76 PKM (0.65) PTGDR2
SCHEMBL285799 0.76 MCHR1 (0.45) L3MBTL1ALDH1A1SMN1; SMN2HTTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239869-B2 Sulfonamide compounds as voltage-gated sodium channel modulators LUPIN LIMITED (IN) 2019-03-26 US disclosed
EP-3344621-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS Lupin Limited (IN) 2018-07-11 EP disclosed
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2018-07-05 US disclosed
WO-2017037682-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-03-09 WO 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 (2 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-10239869-B2 Sulfonamide compounds as voltage-gated sodium channel modulators SCN7A, SCN1A, SCN5A F2 4428/4885PLAU 4716/4885ST14 1296/4885
US-20180186777-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A F2 4428/4885PLAU 4716/4885ST14 1296/4885

“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.