SCHEMBL3687773

SCHEMBL3687773

COc1ccc(Cl)cc1C(=O)NC(C)c1ccc(OC(C)(C)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.56
PTGER2 P43116 2/20 0.56
ALDH1A1 P00352 5/20 0.54
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
PPARA Q07869 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.46
FABP2 P12104 1/20 0.45
PPARG P37231 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45

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
SCHEMBL5324963 0.90 ALDH1A1 (0.52) PTGER4PTGER2ALDH1A1PPARAKMT2A
SCHEMBL14398032 0.85 LMNA (0.53) ALDH1A1PPARAKMT2AMAPTMEN1
SCHEMBL5321332 0.85 ALDH1A1 (0.59) ALDH1A1PPARAKMT2AMAPTMEN1
SCHEMBL28029960 0.83 ALDH1A1 (0.71) PTGER4PTGER2ALDH1A1TAS1R3TAS1R1
SCHEMBL6428646 0.81 PPARA (0.63) PTGER4ALDH1A1TAS1R3TAS1R1PPARA
SCHEMBL1304554 0.80 PPARA (0.54) PTGER4PTGER2ALDH1A1TAS1R3TAS1R1
SCHEMBL5320371 0.79 ALDH1A1 (0.50) ALDH1A1TAS1R3TAS1R1PPARAKMT2A
SCHEMBL14398603 0.78 LMNA (0.49) ALDH1A1PPARAKMT2AMAPTMEN1
SCHEMBL14398030 0.78 PPARA (0.49) ALDH1A1PPARAKMT2AMAPTMEN1
SCHEMBL3687774 0.78 DNMT3A (0.69) ALDH1A1PPARASMN1; SMN2FABP2PPARG

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-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 US claimed
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 US disclosed
EP-1781303-A4 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX INC (US) 2008-07-02 EP disclosed
EP-1781303-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS CombinatoRx, Incorporated (US) 2007-05-09 EP disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 US disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 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-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 PTGER4 3526/4885PTGER2 4028/4885ALDH1A1 626/4885

“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.