SCHEMBL4260199

SCHEMBL4260199

O=C(NS(=O)(=O)/C=C/c1csc2ccccc12)c1ccc(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAOB P27338 1/20 0.37
F2R P25116 1/20 0.37
CYP2A6 P11509 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL4260203 1.00 MAPT (0.39) MAPTPTGS1PTGS2HDAC3HDAC4
SCHEMBL4256644 0.88 KMT2A (0.41) MAPTPTGS1PTGS2HDAC3HDAC4
SCHEMBL4256607 0.88 KMT2A (0.41) MAPTPTGS1PTGS2HDAC3HDAC4
SCHEMBL4267076 0.86 PTGES2 (0.40) MAPTPTGS1PTGS2HDAC3HDAC4
SCHEMBL4264014 0.86 PTGES2 (0.40) MAPTPTGS1PTGS2HDAC3HDAC4
SCHEMBL4256579 0.82 PTGS1 (0.38) MAPTPTGS1PTGS2HDAC3HDAC4
SCHEMBL5403998 0.81 PTGES2 (0.43) MAPTHDAC1HDAC8HDAC6F2R
SCHEMBL5404009 0.81 PTGES2 (0.43) MAPTHDAC1HDAC8HDAC6F2R
SCHEMBL5426634 0.80 KMT2A (0.52) MAOBF2RPTGES2MEN1ALDH1A1
SCHEMBL5426628 0.80 KMT2A (0.52) MAOBF2RPTGES2MEN1ALDH1A1

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 5 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
US-7208506-B2 Heteroarylethenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-24 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 4626/4885PTGS1 285/4885PTGS2 550/4885

“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.