SCHEMBL4223487

SCHEMBL4223487

COC(=O)Cc1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.49
ACP1 P24666 1/20 0.45
ALOX5 P09917 1/20 0.43
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 4/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
PTGS2 P35354 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8257613 0.83 HSP90AB1 (0.62) HSP90AB1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8360725 0.83 HSP90AB1 (0.62) HSP90AB1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4210969 0.82 CYP1A2 (0.45) ACP1ALOX5MEN1KMT2AALDH1A1
SCHEMBL31458970 0.81 HSP90AB1 (0.49) HSP90AB1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1997562 0.81 HSP90AB1 (0.49) HSP90AB1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL1571230 0.78 PTGS2 (0.54) ACP1MEN1KMT2AMAPTALDH1A1
SCHEMBL5748815 0.78 HSP90AB1 (0.45) HSP90AB1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30673283 0.77 ACP1 (0.42) ACP1ALOX5MEN1KMT2AALDH1A1
SCHEMBL27725733 0.77 HSP90AB1 (0.76) HSP90AB1MEN1KMT2AMAPTALDH1A1
SCHEMBL2015555 0.77 ACP1 (0.42) ACP1ALOX5MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143396-A1 Sulfonyl-Substituted Aryl Compounds as Modulators of Peroxisome Proliferator Activated Receptors MALECHA JAMES W 2009-06-04 US disclosed
CN-101374813-A Arylsulfonamide and sulfonyl compounds as PPAR modulators and methods of treating metabolic disorders KALYPSYS INC (US) 2009-02-25 CN disclosed
WO-2007047431-A2 SULFONYL-SUBSTITUTED ARYL COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS KALYPSYS, INC. (US) 2007-04-26 WO 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 (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-20090143396-A1 Sulfonyl-Substituted Aryl Compounds as Modulators of Peroxisome Proliferator Activated Receptors PPARG, PPARA, PPARD HSP90AB1 1201/4885ACP1 2446/4885ALOX5 1049/4885
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD HSP90AB1 1152/4885ACP1 2687/4885ALOX5 1120/4885

“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.