SCHEMBL2116730

SCHEMBL2116730

CC(C)c1ccc(-c2nc3c(c(C(=O)O)nn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.48
PPARG P37231 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 1/20 0.45
DHFR P00374 1/20 0.44
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
MDM2 Q00987 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1689410 0.92 DHFR (0.47) PPARAPPARGMAPTTP53DHFR
SCHEMBL1689253 0.91 MALT1 (0.45) PPARAPPARGMAPTTP53DHFR
SCHEMBL1689298 0.89 NPBWR1 (0.51) PPARAMAPTKDM4EALDH1A1HPGD
SCHEMBL1689273 0.88 MAPT (0.52) PPARAPPARGMAPTTP53DHFR
SCHEMBL1689323 0.85 MAPT (0.45) PPARAPPARGMAPTTP53DHFR
SCHEMBL1689077 0.83 MAPT (0.48) PPARAMAPTTP53GRM5GRM1
SCHEMBL1689285 0.82 MAPT (0.48) PPARAPPARGMAPTTP53GRM5
SCHEMBL1689232 0.81 MAPT (0.42) PPARAPPARGMAPTTP53DHFR
SCHEMBL1753292 0.81 GABRA2 (0.49) MAPTKDM4EALDH1A1HPGDKMT2A
SCHEMBL27839557 0.80 MAPT (0.41) PPARAPPARGMAPTTP53DHFR

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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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 (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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PPARA 217/4885PPARG 110/4885MAPT 1780/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PPARA 217/4885PPARG 110/4885MAPT 1780/4885

“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.