SCHEMBL12040697

SCHEMBL12040697

Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ncnc3[nH]ccc23)ccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.77
CCR2 P41597 9/20 0.69
CYP3A4 P08684 5/20 0.69
TNNI3K Q59H18 5/20 0.46
BRAF P15056 2/20 0.46
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 2/20 0.42
CCR4 P51679 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CCR5 P51681 1/20 0.42
MAPT P10636 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
SCHEMBL12040688 0.93 CYP3A4 (0.80) CYP2C9CCR2CYP3A4TNNI3KBRAF
SCHEMBL12040687 0.87 CYP3A4 (0.63) CYP2C9CCR2CYP3A4TNNI3KBRAF
SCHEMBL12040694 0.87 CCR2 (0.62) CYP2C9CCR2CYP3A4TNNI3KBRAF
SCHEMBL12040691 0.87 CYP2C9 (0.59) CYP2C9CCR2CYP3A4TNNI3KBRAF
SCHEMBL128785 0.87 CYP2C9 (1.00) CYP2C9CCR2CYP3A4
SCHEMBL1762314 0.86 CYP2C9 (0.58) CYP2C9CCR2CYP3A4TNNI3KBRAF
SCHEMBL127931 0.86 CCR2 (0.81) CYP2C9CCR2CYP3A4TNNI3KBRAF
SCHEMBL12040686 0.84 CYP3A4 (0.72) CYP2C9CCR2CYP3A4TNNI3KBRAF
SCHEMBL12040684 0.84 CYP2C9 (0.55) CYP2C9CCR2CYP3A4MEN1LMNA
SCHEMBL12040730 0.83 CYP2C9 (0.54) CYP2C9CCR2CYP3A4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745312-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2017-08-29 US disclosed
US-20170022205-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2017-01-26 US disclosed
US-9394307-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2016-07-19 US disclosed
US-8546408-B2 Fused heteroaryl pyridyl and phenyl benzenesuflonamides as CCR2 modulators for the treatment of inflammation CHEMOCENTRYX, INC. (US) 2013-10-01 US disclosed
US-20110319433-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. 2011-12-29 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-20170022205-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP2C9 1281/4885CCR2 1/4885CYP3A4 1134/4885
US-20110319433-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREATMENT OF INFLAMMATION CCR2, CXCR2, CX3CR1 CYP2C9 1281/4885CCR2 1/4885CYP3A4 1134/4885

“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.