SCHEMBL2300128

SCHEMBL2300128

CCOC(=O)C(CCC(=O)Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.35
KLK7 P49862 4/20 0.35
KLK5 Q9Y337 3/20 0.33
PPARG P37231 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PTPN1 P18031 3/20 0.33
LTA4H P09960 1/20 0.33
P2RX3 P56373 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
ACE P12821 1/20 0.32
CTSL P07711 1/20 0.31
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31

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
SCHEMBL2300125 1.00 PPARA (0.35) PPARAKLK7KLK5PPARGBCHE
SCHEMBL2301403 0.95 PPARA (0.36) PPARAKLK7KLK5PPARGBCHE
SCHEMBL2301398 0.95 PPARA (0.36) PPARAKLK7KLK5PPARGBCHE
SCHEMBL2302447 0.95 PPARA (0.36) PPARAKLK7KLK5PPARGPTPN1
SCHEMBL2302440 0.95 PPARA (0.36) PPARAKLK7KLK5PPARGPTPN1
SCHEMBL2304666 0.92 KLK7 (0.33) PPARAKLK7KLK5PPARGBCHE
SCHEMBL2302087 0.92 KLK7 (0.33) PPARAKLK7KLK5PPARGBCHE
SCHEMBL2304496 0.86 LTA4H (0.38) LTA4HALDH1A1MAPTHPGD
SCHEMBL13784389 0.85 HPGD (0.36) PPARAPTPN1ALDH1A1MAPTHPGD
SCHEMBL23788258 0.83 MAPT (0.34) PPARAKLK7KLK5PPARGPTPN1

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-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 US disclosed
US-8188119-B2 Pyridine derivatives substituted with heterocyclic ring and γ-glutamylamino group, and antifungal agents containing same EISAI R&D MANAGEMENT CO., LTD (JP) 2012-05-29 US disclosed
EP-2351752-A1 PYRIDINE DERIVATIVE HAVING SUBSTITUTED HETERO RING AND SUBSTITUTED y-GLUTAMYLAMINO GROUP, AND ANTI-FUNGAL AGENT COMPRISING SAME Eisai R&D Management Co., Ltd. (JP) 2011-08-03 EP disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 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-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL PPARA 4236/4885KLK7 4126/4885KLK5 4350/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 PPARA 4133/4885KLK7 3866/4885KLK5 4012/4885

“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.