SCHEMBL3263495

SCHEMBL3263495

CC1=C(C(=O)O)C(c2ccc(-c3ccccc3[N+](=O)[O-])o2)C2=C(CCCC2=O)N1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 1/20 0.54
FFAR3 O14843 11/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13457882 0.85 FFAR3 (0.61) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL10478145 0.84 TDP1 (0.58) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL15859458 0.81 FFAR3 (0.56) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL3263202 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL14010782 0.79 FFAR3 (0.63) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL15866579 0.78 FFAR3 (0.62) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL5065106 0.77 FFAR3 (0.68) KDM4EFFAR3SMN1; SMN2
O-Tolylamine SCHEMBL5315045 0.76 FFAR3 (0.52) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL15866594 0.76 FFAR3 (0.66) KDM4EFFAR3SMN1; SMN2
SCHEMBL5064866 0.74 FFAR3 (0.76) KDM4EFFAR3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812080-B1 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS ARENA PHARM INC (US) 2014-07-09 EP claimed
US-20080312277-A1 Gpr41 and Modulators Thereof for the Treatment of Insulin-Related Disorders ARENA PHARMACEUTICALS, INC. 2008-12-18 US claimed
EP-1812080-A2 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-08-01 EP claimed
WO-2006052566-A2 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
EP-1812080-B1 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS ARENA PHARM INC (US) 2014-07-09 EP disclosed
WO-2010030997-A1 REGULATING INTESTINAL MICROBIOTA DEPENDENT SIGNALING AS A MEANS TO MODULATE BODY FAT AND/OR WEIGHT LOSS THE WASHINGTON UNIVERSITY (US) 2010-03-18 WO disclosed
US-20080312277-A1 Gpr41 and Modulators Thereof for the Treatment of Insulin-Related Disorders ARENA PHARMACEUTICALS, INC. 2008-12-18 US disclosed
EP-1812080-A2 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-08-01 EP disclosed
WO-2006052566-A2 GPR41 AND MODULATORS THEREOF FOR THE TREATMENT OF INSULIN-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-05-18 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-20080312277-A1 Gpr41 and Modulators Thereof for the Treatment of Insulin-Related Disorders GPR119, GPR4, GLP1R ALDH1A1 3656/4885KDM4E 3458/4885MAPT 3164/4885

“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.