SCHEMBL4906770

SCHEMBL4906770

COCc1nc(-c2ccc(OC)cc2)c(-c2ccc(Cl)cc2Cl)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
MARS1 P56192 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CNR1 P21554 5/20 0.44
DPP4 P27487 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
EIF4E P06730 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
PPARD Q03181 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DHODH Q02127 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL4805584 0.94 CNR1 (0.48) CNR1EIF4E
SCHEMBL4910547 0.83 DPP4 (0.45) PTPN1MARS1CNR1DPP4MEN1
SCHEMBL4906797 0.82 DPP4 (0.53) PTPN1CNR1DPP4MEN1KMT2A
SCHEMBL4805155 0.81 CNR1 (0.47) KDM4ECNR1SMN1; SMN2MAPTRAB9A
SCHEMBL4914279 0.76 CNR1 (0.43) PTPN1KDM4ECNR1DPP4SMN1; SMN2
SCHEMBL3889534 0.75 CNR1 (0.50) CNR1DPP4SMN1; SMN2EIF4EDHODH
SCHEMBL3114608 0.74 DPP4 (0.44) DPP4
SCHEMBL4807852 0.74 CNR1 (0.48) MARS1KDM4ECNR1SMN1; SMN2EIF4E
SCHEMBL4911306 0.73 NPC1 (0.44) KDM4ECNR1MEN1KMT2AMAPT
SCHEMBL4803179 0.73 KDM4E (0.55) PTPN1MARS1KDM4ESMN1; SMN2PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021070-A1 PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-01-24 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 (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-20080021070-A1 PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF CNR1, CNR2, GPR18 PTPN1 1678/4885MARS1 3629/4885KDM4E 1122/4885

“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.