SCHEMBL4412298

SCHEMBL4412298

Cc1cc(-c2cccc(C(F)(F)F)c2)c(N(S(C)(=O)=O)S(C)(=O)=O)nc1C(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
TRPV4 Q9HBA0 5/20 0.40
CACNA1B Q00975 4/20 0.40
L3MBTL3 Q96JM7 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NR1I2 O75469 2/20 0.40
CHRM2 P08172 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
TACR2 P21452 1/20 0.39
TACR3 P29371 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
CYP3A4 P08684 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
SCHEMBL1422280 0.89 ACACB (0.43) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL1421156 0.88 IRAK4 (0.45) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL4408777 0.86 TRPV4 (0.43) CCR2IRAK4ACACBACACATRPV4
SCHEMBL1421257 0.85 IRAK4 (0.44) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL1420845 0.85 IRAK4 (0.44) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL1422960 0.85 L3MBTL3 (0.45) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL1420712 0.85 IRAK4 (0.44) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL1422418 0.84 IRAK4 (0.43) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL1421088 0.84 IRAK4 (0.45) IRAK4ACACBACACATRPV4L3MBTL3
SCHEMBL1421240 0.84 IRAK4 (0.43) IRAK4ACACBACACATRPV4L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227613-B2 Heteroaryl carboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-24 US disclosed
US-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-24 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-20090318467-A1 NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES CCR3, CCR2, CCR1 CCR2 2/4885IRAK4 261/4885ACACB 2462/4885

“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.