SCHEMBL29888331

SCHEMBL29888331

O=C(c1ccccn1)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.63
CCR2 P41597 13/20 0.56
CYP3A4 P08684 2/20 0.54
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.50
GRM4 Q14833 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL306095 1.00 CYP2C9 (0.63) CYP2C9CCR2CYP3A4ALDH1A1LMNA
SCHEMBL306073 0.88 CYP2C9 (0.62) CYP2C9CCR2CYP3A4TSHR
SCHEMBL305754 0.87 CYP2C9 (0.66) CYP2C9CCR2CYP3A4TSHR
SCHEMBL306452 0.87 CYP2C9 (0.61) CYP2C9CCR2CYP3A4TSHR
SCHEMBL307531 0.87 CYP2C9 (0.63) CYP2C9CCR2CYP3A4TSHR
SCHEMBL306174 0.87 CYP2C9 (0.65) CYP2C9CCR2CYP3A4TSHR
SCHEMBL12593862 0.86 CYP2C9 (0.62) CYP2C9CCR2CYP3A4TSHR
SCHEMBL4774906 0.86 KMT2A (0.53) CYP2C9CCR2ALDH1A1TSHRMEN1
SCHEMBL12594346 0.85 MEN1 (0.52) CYP2C9CCR2CYP3A4LMNAGRM4
SCHEMBL306540 0.85 CYP2C9 (0.61) CYP2C9CCR2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2C9 192/4885CCR2 1/4885CYP3A4 1934/4885

“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.