SCHEMBL4274348

SCHEMBL4274348

Cc1c(C(F)(F)F)cccc1S(=O)(=O)Nc1cc(Cl)cnc1C(=O)c1ccnc(NCCO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 3/20 0.37
GPR52 Q9Y2T5 2/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
CCR2 P41597 2/20 0.35
SLC22A12 Q96S37 2/20 0.35
BRAF P15056 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
FTO Q9C0B1 1/20 0.34
KDM4D Q6B0I6 2/20 0.33
PTGES O14684 1/20 0.33
ACLY P53396 1/20 0.33
EEF2K O00418 1/20 0.33
PLK1 P53350 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
CYP2C19 P33261 1/20 0.33
CCR4 P51679 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
SCHEMBL307377 0.85 CYP2C9 (0.48) CYP2C9CYP3A4CCR2BRAFCYP2C19
SCHEMBL12594452 0.80 CCR2 (0.42) CYP2C9CYP3A4CCR2KDM4DCYP2C19
SCHEMBL307989 0.74 CYP2C9 (0.51) CYP2C9CYP3A4CCR2
SCHEMBL307366 0.73 CYP2C9 (0.50) CYP2C9CYP3A4CCR2
SCHEMBL4274346 0.72 VNN1 (0.41) PTGES
SCHEMBL29888964 0.72 CYP2C9 (0.59) CYP2C9CYP3A4CCR2
SCHEMBL1762515 0.72 CYP2C9 (0.59) CYP2C9CYP3A4CCR2
SCHEMBL307340 0.72 CYP2C9 (0.49) CYP2C9CYP3A4CCR2
SCHEMBL14620324 0.71 CYP2C9 (0.48) CYP2C9CYP3A4CCR2
SCHEMBL307824 0.71 CYP2C9 (0.61) CYP2C9CYP3A4CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CYP2C9 1187/4885CYP3A4 1108/4885GPR52 347/4885

“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.