SCHEMBL325598

SCHEMBL325598

CCCCCOc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
VCAM1 P19320 2/20 0.38
GSR P00390 1/20 0.38
TXNRD1 Q16881 1/20 0.38
PIN1 Q13526 1/20 0.38
GAA P10253 1/20 0.38
PLA2G4B P0C869 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP7 Q93009 1/20 0.36

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
SCHEMBL31251103 0.86 PIN1 (0.38) SMN1; SMN2MAPTPIN1MEN1ALDH1A1
SCHEMBL17035200 0.85 MAPT (0.42) SMN1; SMN2LMNAMAPTNPC1PIN1
SCHEMBL18839589 0.84 PLAU (0.41) LMNAMAPTVCAM1PIN1ALDH1A1
SCHEMBL31251039 0.83 PIN1 (0.38) SMN1; SMN2LMNAMAPTNPC1VCAM1
SCHEMBL17293088 0.82 CHRNB2 (0.48) MAPTNPSR1PIN1GAAUSP7
SCHEMBL19172477 0.81 S1PR4 (0.37) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL8514116 0.79 PIN1 (0.44) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL21294422 0.76 MAPT (0.39) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL5643837 0.75 AHR (0.36) SMN1; SMN2LMNAMAPTNPC1VCAM1
SCHEMBL327010 0.75 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTNPC1RAB9A

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 17 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
EP-2354126-B1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX INC (US) 2013-09-25 EP disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
EP-2474532-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2012-07-11 EP disclosed
US-8093247-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2012-01-10 US disclosed
EP-2354126-A1 Heteroaryl sulfonamides and CCR2 ChemoCentryx, Inc. (US) 2011-08-10 EP 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
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 1239/4885CNR1 31/4885ACHE 4861/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885CNR1 28/4885ACHE 4861/4885
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 2100/4885CNR1 97/4885ACHE 4395/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885CNR1 28/4885ACHE 4861/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 ESR1 1239/4885CNR1 31/4885ACHE 4861/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885CNR1 28/4885ACHE 4861/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885CNR1 28/4885ACHE 4861/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885CNR1 28/4885ACHE 4861/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885CNR1 28/4885ACHE 4861/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 ESR1 1659/4885CNR1 28/4885ACHE 4861/4885

“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.