SCHEMBL4274346

SCHEMBL4274346

O=C(c1ccnc(NCCO)c1)c1ncc(Cl)cc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.41
IDH2 P48735 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES O14684 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGAV P06756 2/20 0.37
ITGA2B P08514 2/20 0.37

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 0.73 CYP2C9 (0.48)
SCHEMBL4274348 0.72 CYP2C9 (0.39) PTGES
SCHEMBL12594452 0.70 CCR2 (0.42) ALDH1A1HPGDHTTHSD17B10LMNA
SCHEMBL4799079 0.65 CCR2 (0.46) KDM1A
SCHEMBL4774906 0.65 KMT2A (0.53) ALDH1A1KDM1A
SCHEMBL10223198 0.65 CCR2 (0.47) LMNAKDM1A
SCHEMBL4778194 0.64 CYP2C9 (0.44) KDM1A
SCHEMBL857944 0.63 GPBAR1 (0.46) IDH2KDM4EMAPT
SCHEMBL1762318 0.62 CYP2C9 (0.58) KDM1A
SCHEMBL22467269 0.62 GPBAR1 (0.57) ALDH1A1KDM4EMAPTKDM1A

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 VNN1 2029/4885IDH2 2511/4885ALDH1A1 1867/4885

“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.