SCHEMBL21998949

SCHEMBL21998949

CNC(=O)Nc1ccc(Cl)c(C(=O)c2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cc3cc(N)cc(C(=O)c4ncc(Cl)cc4NS(=O)(=O)c4ccc(C)c(C(F)(F)F)c4)c3Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 3/20 0.42
CCR2 P41597 15/20 0.41
NAMPT P43490 1/20 0.36
KCNH2 Q12809 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
SCHEMBL305214 0.89 CYP2C9 (0.52) CYP2C9CYP3A4CCR2NAMPT
SCHEMBL307554 0.84 CYP2C9 (0.58) CYP2C9CYP3A4CCR2
SCHEMBL305829 0.83 CYP2C9 (0.48) CYP2C9CYP3A4CCR2NAMPT
SCHEMBL306507 0.83 CYP2C9 (0.58) CYP2C9CYP3A4CCR2
SCHEMBL12594371 0.81 MEN1 (0.45) CYP2C9CYP3A4CCR2NAMPT
SCHEMBL306527 0.81 CYP2C9 (0.46) CYP2C9CYP3A4CCR2NAMPT
SCHEMBL10222909 0.80 CYP2C9 (0.54) CYP2C9CYP3A4CCR2KCNH2
SCHEMBL306814 0.79 CYP3A4 (0.64) CYP2C9CYP3A4CCR2
SCHEMBL12594423 0.79 MEN1 (0.45) CYP2C9CYP3A4CCR2NAMPT
SCHEMBL12593734 0.79 CYP2C9 (0.56) CYP2C9CYP3A4CCR2KCNH2

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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2C9 192/4885CYP3A4 1934/4885CCR2 1/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2C9 192/4885CYP3A4 1934/4885CCR2 1/4885

“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.