SCHEMBL4260434

SCHEMBL4260434

NC(=O)c1ccc(F)cc1Br.O=S(=O)(O)/C=C/c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NLRP3 Q96P20 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
DGAT1 O75907 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4261217 0.87 LMNA (0.39) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4253732 0.86 NPC1 (0.42) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4255235 0.86 CYP1A2 (0.40) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL5426631 0.81 ALDH1A1 (0.44) GAAHTR2AHTR2CTDP1DGAT1
SCHEMBL27717784 0.81 ALDH1A1 (0.44) GAAHTR2AHTR2CTDP1DGAT1
SCHEMBL4256510 0.81 MAPT (0.42) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4261536 0.80 NLRP3 (0.46) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4261544 0.80 NLRP3 (0.46) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4256748 0.80 MAPT (0.44) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL5536783 0.80 ALOX5 (0.36) HTR2AHTR2CNLRP3DGAT1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP claimed
EP-1904471-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-02 EP claimed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US claimed
WO-2007006459-A1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO claimed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 US disclosed
US-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2007-01-11 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-20070010564-A1 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP1A1, CYP3A5 MAPT 4626/4885NPC1 254/4885RAB9A 833/4885

“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.