SCHEMBL12594470

SCHEMBL12594470

Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N2CCCC[C@H]2C)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 1/20 0.45
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ LMNA P02545 5/20 0.43
▸ TP53 P04637 2/20 0.43
▸ GRM5 P41594 3/20 0.43
▸ CCR2 P41597 8/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL12594877 1.00 CCKBR (0.45) CCKBRCCNE1CDK2LMNATP53
SCHEMBL12594898 0.88 CCR2 (0.42) LMNACCR2MEN1KMT2ACYP1A2
SCHEMBL10223482 0.88 CYP2C9 (0.53) CCR2CYP3A4CYP2C9
SCHEMBL10223140 0.88 CYP2C9 (0.53) CCR2CYP3A4CYP2C9
SCHEMBL12594860 0.86 CCKBR (0.49) CCKBRLMNATP53CCR2MEN1
SCHEMBL12594498 0.85 CCR2 (0.43) LMNACCR2MEN1KMT2AALDH1A1
SCHEMBL12594893 0.84 CCR2 (0.41) LMNACCR2MEN1KMT2AALDH1A1
SCHEMBL12594908 0.84 CCR2 (0.41) LMNACCR2MEN1KMT2AALDH1A1
SCHEMBL12594473 0.83 CCR2 (0.44) LMNATP53CCR2MEN1KMT2A
SCHEMBL12594499 0.81 CCR2 (0.43) LMNATP53CCR2MEN1KMT2A

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 CCKBR 669/4885CCNE1 1947/4885CDK2 366/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CCKBR 669/4885CCNE1 1947/4885CDK2 366/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CCKBR 669/4885CCNE1 1947/4885CDK2 366/4885

“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.

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