SCHEMBL3683571

SCHEMBL3683571

NC(=O)CC(CCBr)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 1/20 0.50
GABBR2 O75899 2/20 0.49
GABBR1 Q9UBS5 2/20 0.49
CYP2C19 P33261 3/20 0.46
SLC6A3 Q01959 3/20 0.42
DRD3 P35462 2/20 0.42
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.42
MC3R P41968 1/20 0.42
DRD2 P14416 1/20 0.42
ALOX5 P09917 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL27498972 0.85 GABBR2 (0.61) CYP1A2CYP2D6ALDH1A1GABBR2GABBR1
SCHEMBL9105247 0.85 ALDH1A1 (0.63) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL3681104 0.84 CYP1A2 (0.53) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL184884 0.82 ALDH1A1 (0.54) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL15614666 0.82 ALDH1A1 (0.54) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL4560570 0.81 F2 (0.53) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL1059563 0.79 CYP2D6 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL27691658 0.79 GABBR2 (0.75) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL8192677 0.79 CYP2D6 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL8187229 0.79 CYP2D6 (0.56) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG CYP1A2 418/4885CYP2D6 770/4885PKM 361/4885

“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.