SCHEMBL5748243

SCHEMBL5748243

COC(=O)Cc1cc([N+](=O)[O-])cc(C)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
FGFR3 P22607 1/20 0.51
KDR P35968 1/20 0.51
POLB P06746 4/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 7/20 0.40
GPR35 Q9HC97 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
PTGS2 P35354 1/20 0.36
ACP1 P24666 1/20 0.36
GLA P06280 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
SCHEMBL5746519 0.84 CYP1A2 (0.49) POLBMAPTHTTALDH1A1GPR35
SCHEMBL1626207 0.79 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31001012 0.79 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL502591 0.79 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1817138 0.78 POLB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13583170 0.78 ALDH1A1 (0.41) POLBMAPTHTTALDH1A1GPR35
SCHEMBL13583169 0.78 ALDH1A1 (0.41) POLBMAPTHTTALDH1A1GPR35
SCHEMBL14287871 0.78 HTT (0.56) POLBMAPTHTTALDH1A1GPR35
SCHEMBL5747544 0.77 ALDH1A1 (0.46) POLBMAPTHTTALDH1A1GPR35
SCHEMBL31490717 0.77 ALDH1A1 (0.46) POLBMAPTHTTALDH1A1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374813-A Arylsulfonamide and sulfonyl compounds as PPAR modulators and methods of treating metabolic disorders KALYPSYS INC (US) 2009-02-25 CN disclosed
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD PDGFRB 338/4885FGFR1 250/4885PDGFRA 248/4885

“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.