SCHEMBL307329

SCHEMBL307329

CC(C)N(C(=O)c1nccc(Cl)c1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1cc[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 1/20 0.43
CCR2 P41597 13/20 0.42
PGAM1 P18669 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
BRAF P15056 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL306064 0.87 CYP2C9 (0.57) CYP3A4CYP2C9CCR2
SCHEMBL10222676 0.76 CYP2C9 (0.53) CYP3A4CYP2C9CCR2ALDH1A1LMNA
SCHEMBL306303 0.74 CYP2C9 (0.56) CYP3A4CYP2C9CCR2
SCHEMBL12594491 0.74 MEN1 (0.44) CYP3A4CYP2C9CCR2LMNA
SCHEMBL307328 0.74 MEP1B (0.36) TSHRCYP3A4CYP2C9CCR2PGAM1
SCHEMBL306130 0.72 CYP2C9 (0.55) CYP3A4CYP2C9CCR2PGAM1
SCHEMBL29888408 0.72 CYP2C9 (0.53) CYP3A4CYP2C9CCR2
SCHEMBL306258 0.72 CYP2C9 (0.53) CYP3A4CYP2C9CCR2
SCHEMBL14303225 0.72 CYP2C9 (0.51) CYP3A4CYP2C9CCR2
SCHEMBL4774695 0.71 CYP3A4 (0.45) TSHRCYP3A4CYP2C9CCR2PGAM1

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 12 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
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
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-8093247-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2012-01-10 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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 (9 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 TSHR 1094/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 TSHR 1824/4885CYP3A4 1108/4885CYP2C9 1187/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 TSHR 1094/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 TSHR 1159/4885CYP3A4 1214/4885CYP2C9 1137/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 TSHR 1094/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 TSHR 1094/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 TSHR 1094/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 TSHR 1094/4885CYP3A4 1934/4885CYP2C9 192/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 TSHR 1094/4885CYP3A4 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.