SCHEMBL17141748

SCHEMBL17141748

C=C(C)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CES2 O00748 2/20 0.43
▸ PTGS2 P35354 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TMPRSS4 Q9NRS4 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ P2RX1 P51575 5/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ CFTR P13569 1/20 0.37

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
SCHEMBL12240549 0.82 ESR1 (0.55) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL7606804 0.82 ALDH1A1 (0.57) MEN1KMT2AGAAALDH1A1HPGD
SCHEMBL30062195 0.81 CES2 (0.52) MEN1KMT2ACES2TMPRSS4KDM4E
SCHEMBL320481 0.81 CES2 (0.52) MEN1KMT2ACES2TMPRSS4KDM4E
SCHEMBL14533723 0.79 JAK2 (0.47) MEN1KMT2ACES2GAAKDM4E
SCHEMBL28987801 0.79 CES2 (0.42) CES2GAAKDM4EALDH1A1HPGD
SCHEMBL28415313 0.79 CES2 (0.42) CES2GAAKDM4EALDH1A1HPGD
SCHEMBL25400369 0.79 GAA (0.46) MEN1KMT2ACES2PTGS2NQO2
SCHEMBL29547954 0.79 GAA (0.46) MEN1KMT2ACES2PTGS2NQO2
SCHEMBL18611579 0.78 CES2 (0.44) CES2GAAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-05-18 — — US disclosed
EP-3126360-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS Lupin Limited (IN) 2017-02-08 — — EP disclosed
WO-2015151001-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2015-10-08 — — 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 (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-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A MEN1 3401/4885KMT2A 1447/4885CES2 1802/4885

“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.

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