SCHEMBL12594908

SCHEMBL12594908

COC[C@@H]1CCCN1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 14/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CCR4 P51679 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ BCL6 P41182 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ SMO Q99835 1/20 0.38

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
SCHEMBL12594893 1.00 CCR2 (0.41) CCR2LMNAALDH1A1MEN1KMT2A
SCHEMBL10223502 0.89 CCR2 (0.51) CCR2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL10223552 0.89 CCR2 (0.51) CCR2LMNAALDH1A1CYP3A4CYP2C9
SCHEMBL12594498 0.87 CCR2 (0.43) CCR2LMNAALDH1A1MEN1KMT2A
SCHEMBL12594898 0.84 CCR2 (0.42) CCR2LMNAMEN1KMT2ACYP3A4
SCHEMBL12594877 0.84 CCKBR (0.45) CCR2LMNAALDH1A1MEN1KMT2A
SCHEMBL12594470 0.84 CCKBR (0.45) CCR2LMNAALDH1A1MEN1KMT2A
SCHEMBL12594473 0.79 CCR2 (0.44) CCR2LMNAMEN1KMT2ACYP3A4
SCHEMBL12594499 0.78 CCR2 (0.43) CCR2LMNAMEN1KMT2ACYP3A4
SCHEMBL12594860 0.77 CCKBR (0.49) CCR2LMNAALDH1A1MEN1KMT2A

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 1/4885LMNA 4645/4885ALDH1A1 2834/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 CCR2 1/4885LMNA 4645/4885ALDH1A1 2834/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CCR2 1/4885LMNA 4645/4885ALDH1A1 2834/4885

“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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