SCHEMBL10272281

SCHEMBL10272281

CC(C)(O)c1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.38
▸ GPR35 Q9HC97 2/20 0.38
▸ LMNA P02545 4/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ AHR P35869 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ VCAM1 P19320 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12347458 0.87 ALDH1A1 (0.41) POLBGPR35LMNAMAPK1AHR
SCHEMBL20856365 0.80 TDP1 (0.47) LMNAMAPK1AHRCHUKTSHR
SCHEMBL306022 0.78 AHR (0.35) POLBGPR35LMNAMAPK1AHR
SCHEMBL17186974 0.77 PLAU (0.40) LMNAMAPK1TSHRALDH1A1MAPT
SCHEMBL3146522 0.74 GPR35 (0.44) GPR35LMNAMAPK1AHRCHUK
SCHEMBL5626986 0.74 POLB (0.42) POLBGPR35MAPK1AHRCHUK
SCHEMBL29445407 0.73 MAPK1 (0.44) POLBGPR35MAPK1AHRCHUK
SCHEMBL113455 0.73 MAPK1 (0.44) POLBGPR35MAPK1AHRCHUK
SCHEMBL18668190 0.73 SSTR4 (0.33) POLBLMNAMAPK1ALDH1A1MEN1
SCHEMBL203312 0.72 INPPL1 (0.46) POLBMAPK1AHRCHUKTSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1838674-B9 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-11-02 — — EP 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
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 (2 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-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 POLB 4152/4885GPR35 873/4885LMNA 4844/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 POLB 3773/4885GPR35 91/4885LMNA 4631/4885

“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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