SCHEMBL327010

SCHEMBL327010

CCCCCSc1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
USP7 Q93009 1/20 0.37
VCAM1 P19320 2/20 0.36
GSR P00390 1/20 0.36
TXNRD1 Q16881 1/20 0.36
HASPIN Q8TF76 1/20 0.35
PAK1 Q13153 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
AHR P35869 1/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL16676233 0.84 SMN1; SMN2 (0.70) SMN1; SMN2VCAM1AHRMAPTALDH1A1
SCHEMBL20374494 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1AHRMAPTLMNA
SCHEMBL10222531 0.76 SMN1; SMN2 (0.46) SMN1; SMN2USP7VCAM1AHRLMNA
SCHEMBL8597530 0.75 MEN1 (0.58) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL11310248 0.75 SMN1; SMN2 (0.47) SMN1; SMN2VCAM1AHRMAPTALDH1A1
SCHEMBL325598 0.75 ESR1 (0.42) SMN1; SMN2USP7VCAM1GSRTXNRD1
SCHEMBL7746689 0.74 PDE7A (0.47) USP7VCAM1GSRTXNRD1L3MBTL1
SCHEMBL28331495 0.74 MEN1 (0.57) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL15227162 0.73 MEN1 (0.63) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL3100036 0.71 TLR8 (0.47) L3MBTL1MAPTALDH1A1LMNAGAA

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 21 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-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
EP-1838674-B1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-03-30 EP 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
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-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 (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 SMN1; SMN2 2479/4885USP7 4247/4885VCAM1 251/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885USP7 3545/4885VCAM1 353/4885
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 SMN1; SMN2 4160/4885USP7 3266/4885VCAM1 47/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885USP7 3545/4885VCAM1 353/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 SMN1; SMN2 2479/4885USP7 4247/4885VCAM1 251/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885USP7 3545/4885VCAM1 353/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885USP7 3545/4885VCAM1 353/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885USP7 3545/4885VCAM1 353/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885USP7 3545/4885VCAM1 353/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885USP7 3545/4885VCAM1 353/4885

“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.