SCHEMBL5748815

SCHEMBL5748815

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
P2RX1 P51575 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CETP P11597 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 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
SCHEMBL5092006 0.88 LMNA (0.46) LMNAMAPTMEN1KMT2AP2RX1
SCHEMBL1296063 0.85 HSP90AB1 (0.56) HSP90AB1LMNAMAPTALDH1A1
SCHEMBL5631284 0.84 RXRA (0.49) LMNAMAPTMEN1KMT2AP2RX1
SCHEMBL31458970 0.81 HSP90AB1 (0.49) HSP90AB1LMNAMAPTMEN1KMT2A
SCHEMBL4975333 0.79 IDO1 (0.43) LMNAMAPTMEN1KMT2AP2RX1
SCHEMBL137374 0.79 HSP90AB1 (0.69) HSP90AB1LMNAMEN1KMT2AALDH1A1
SCHEMBL1295226 0.79 HSP90AB1 (0.50) HSP90AB1LMNAALDH1A1HTT
SCHEMBL27734452 0.79 P2RX1 (0.42) LMNAMAPTMEN1KMT2AP2RX1
SCHEMBL25077871 0.79 CYP3A4 (0.45) LMNAMAPTMEN1KMT2AP2RX1
SCHEMBL131155 0.79 ALDH1A1 (0.43) LMNAMAPTMEN1KMT2AP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AB1 1152/4885LMNA 3289/4885MAPT 4579/4885

“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.