SCHEMBL12595014

SCHEMBL12595014

CCc1cnc(C(=O)c2c(OC)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 2/20 0.60
KCNH2 Q12809 1/20 0.41
JAK1 P23458 1/20 0.40

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
SCHEMBL125822 0.93 CCR2 (0.62) CCR2CYP3A4CYP2C9KCNH2JAK1
SCHEMBL1762576 0.91 CCR2 (0.76) CCR2CYP3A4CYP2C9KCNH2JAK1
SCHEMBL1762530 0.87 CCR2 (0.61) CCR2CYP3A4CYP2C9KCNH2JAK1
SCHEMBL12594931 0.86 CCR2 (0.81) CCR2CYP3A4CYP2C9JAK1
SCHEMBL1762472 0.86 CCR2 (0.71) CCR2CYP3A4CYP2C9JAK1
SCHEMBL12594314 0.86 CCR2 (0.64) CCR2CYP3A4CYP2C9JAK1
SCHEMBL12648637 0.85 CYP3A4 (0.53) CCR2CYP3A4CYP2C9
SCHEMBL305581 0.84 CYP2C9 (0.63) CCR2CYP3A4CYP2C9KCNH2
SCHEMBL12595006 0.84 CCR2 (0.72) CCR2CYP3A4CYP2C9JAK1
SCHEMBL1762510 0.83 CYP3A4 (0.64) CCR2CYP3A4CYP2C9

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-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 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 (3 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-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CCR2 1/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CCR2 1/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CCR2 1/4885CYP3A4 1934/4885CYP2C9 192/4885

“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.