SCHEMBL306124

SCHEMBL306124

COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(Cl)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
VCAM1 P19320 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL307880 0.92 TP53 (0.36) ESR1MAPTALDH1A1PKMMCOLN3
SCHEMBL12594248 0.91 CCR4 (0.39) MAPTALDH1A1PKMMCOLN3TRPM8
SCHEMBL14303635 0.89 ESR1 (0.37) ESR1MAPTALDH1A1PKMMCOLN3
SCHEMBL1762506 0.88 ALDH1A1 (0.37) MAPTALDH1A1PKMHCRTR1HCRTR2
SCHEMBL12347500 0.88 ESR1 (0.36) ESR1MAPTALDH1A1PKMMCOLN3
SCHEMBL10222836 0.88 PSEN1 (0.43) MAPTALDH1A1PKMMCOLN3SMN1; SMN2
SCHEMBL12594026 0.86 ALDH1A1 (0.43) MAPTALDH1A1PKMHCRTR1HCRTR2
SCHEMBL1762366 0.86 ALDH1A1 (0.33) ESR1MAPTALDH1A1PKMMCOLN3
SCHEMBL305337 0.85 POLB (0.43) ESR1MAPTALDH1A1HCRTR1HCRTR2
SCHEMBL12648722 0.85 ALDH1A1 (0.38) MAPTALDH1A1PKMMCOLN3SMN1; SMN2

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 42 patents — showing the first 20. 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-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-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-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-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-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 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-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
EP-1838674-A2 HETEROARYL SULFONAMIDES AND CCR2 ChemoCentryx Inc (US) 2007-10-03 EP 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
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
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
US-20060173019-A1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. 2006-08-03 US disclosed
WO-2006076644-A2 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. (US) 2006-07-20 WO 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 (8 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-20060173019-A1 Heteroaryl sulfonamides and CCR2 CCR2, CXCR2, CCR1 ESR1 1239/4885MAPT 4602/4885ALDH1A1 2327/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885MAPT 4586/4885ALDH1A1 2834/4885
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 ESR1 2100/4885MAPT 4529/4885ALDH1A1 1867/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885MAPT 4586/4885ALDH1A1 2834/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 ESR1 1239/4885MAPT 4602/4885ALDH1A1 2327/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885MAPT 4586/4885ALDH1A1 2834/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885MAPT 4586/4885ALDH1A1 2834/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885MAPT 4586/4885ALDH1A1 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.