SCHEMBL3577947

SCHEMBL3577947

COc1ccc(NC(C(=O)O)[C@H]2CCCCCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.49
MMP13 P45452 4/20 0.48
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 1/20 0.48
EPHX2 P34913 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
EPHX1 P07099 1/20 0.45
CA1 P00915 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3578090 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL3569518 0.99 ALDH1A1 (0.52) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL3579205 0.99 ALDH1A1 (0.52) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL5427553 0.99 ALDH1A1 (0.52) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL5427549 0.99 ALDH1A1 (0.52) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL14506069 0.85 CYP2D6 (0.49) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL14506070 0.85 MAPK1 (0.46) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL14533393 0.85 CYP2D6 (0.49) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL13254474 0.85 CYP2D6 (0.49) ALDH1A1MAPK1MMP13MMP1MMP2
SCHEMBL14506071 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1MMP13MMP1MMP2

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
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 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 (3 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-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC ALDH1A1 600/4885MAPK1 3107/4885MMP13 2230/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 ALDH1A1 615/4885MAPK1 651/4885MMP13 4208/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE ALDH1A1 300/4885MAPK1 3783/4885MMP13 867/4885

“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.