SCHEMBL1259808

SCHEMBL1259808

CN[C@@](C)(Cc1ccccc1)C(=O)OC(=O)c1cc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)n1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
CNR1 P21554 2/20 0.34
CYP19A1 P11511 1/20 0.34
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
MCTS1 Q9ULC4 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5260699 0.87 PTGES (0.37) PTGESPTGES2PPARGPPARAGPR119
SCHEMBL1260411 0.74 CNR1 (0.43) CNR1SLC6A4SLC6A3
SCHEMBL1260967 0.70 KMT2A (0.43) CNR1
SCHEMBL1259826 0.66 CYP2C9 (0.42) CNR1CNR2
SCHEMBL12894242 0.65 LMNA (0.52)
SCHEMBL1260378 0.64 CNR1 (0.49) CNR1
SCHEMBL21302016 0.61 LMNA (0.57) PPARGPPARA
SCHEMBL29173166 0.61 LMNA (0.57) PPARGPPARA
SCHEMBL16976217 0.61 LMNA (0.57) PPARGPPARA
SCHEMBL2906434 0.61 HSD11B1 (0.47) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 US claimed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 US claimed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 US claimed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US claimed
US-7879902-B2 Psychological disorders; eating disorders; metabolism disorders; cognition activators; alcoholism; drug abruse thereapy SANOFI-AVENTIS (FR) 2011-02-01 US disclosed
US-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-14 US disclosed
US-7381727-B2 Pyrrole derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-03 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 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 (2 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-20080194581-A1 PYRROLE DERIVATIVES, INTERMEDIATES THEREFOR, PREPARATION AND THERAPEUTIC USE THEREOF PYCR1, FARS2, WEE1 PTGES 384/4885PTGES2 702/4885PPARG 1502/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR PTGES 857/4885PTGES2 1094/4885PPARG 1234/4885

“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.