SCHEMBL3464112

SCHEMBL3464112

C[CH]c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.35
ROCK1 Q13464 1/20 0.31
PIK3CD O00329 1/20 0.31
PIP5K1C O60331 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
SYK P43405 1/20 0.30

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
SCHEMBL6207337 0.85 NFE2L2 (0.35) NFE2L2
SCHEMBL3466127 0.83 CA12 (0.36) NFE2L2
SCHEMBL27827263 0.81 NFE2L2 (0.34) NFE2L2
SCHEMBL27827222 0.79 NFE2L2 (0.33) NFE2L2SYK
SCHEMBL3126398 0.79 PIK3C3 (0.34) NFE2L2PIK3CBSYK
SCHEMBL3465609 0.79 NFE2L2 (0.33) NFE2L2
SCHEMBL10920036 0.78 ROCK1 (0.40) ROCK1
SCHEMBL27827248 0.78 NFE2L2 (0.32) NFE2L2
SCHEMBL27845941 0.78 NFE2L2 (0.32) NFE2L2
SCHEMBL3465567 0.74 ALDH1A1 (0.32) NFE2L2SYK

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-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
CN-102227425-A Azaindazole compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2011-10-26 CN disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NFE2L2 3394/4885ROCK1 2503/4885PIK3CD 4069/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 NFE2L2 832/4885ROCK1 2680/4885PIK3CD 3284/4885

“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.