SCHEMBL5889575

SCHEMBL5889575

CCOC(=O)c1cc2cc(NC(=O)c3ccc4[nH]c(C(=O)Nc5ccc6[nH]c(C(=O)OCC)cc6c5)cc4c3)ccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.72
HRH3 Q9Y5N1 1/20 0.66
MMP2 P08253 3/20 0.65
RAB9A P51151 6/20 0.60
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HSD17B10 Q99714 1/20 0.60
NPC1 O15118 6/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HTT P42858 1/20 0.56
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL8204629 0.98 MMP13 (0.76) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL8205173 0.95 MMP13 (0.72) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL24601450 0.91 MMP13 (0.72) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL22718539 0.90 MMP13 (0.68) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL5679912 0.90 MMP13 (0.62) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL22718574 0.89 MMP13 (0.67) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL8204370 0.85 MMP13 (0.83) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL8209912 0.85 MMP13 (0.83) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL6514040 0.84 MMP13 (1.00) MMP13HRH3MMP2RAB9AKDM4E
SCHEMBL8209921 0.84 MMP13 (0.81) MMP13HRH3MMP2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
WO-2002000650-A9 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECH INC (US) 2003-03-06 WO disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 WO disclosed
EP-0359454-B1 CC-1065 analogs having two CPI subunits UPJOHN CO (US) 2000-12-27 EP disclosed
US-5541339-A ANTITUMOR AGENTS THE UPJOHN COMPANY (US) 1996-07-30 US disclosed
WO-1990002746-A1 NOVEL CC-1065 ANALOGS HAVING TWO CPI SUBUNITS THE UPJOHN COMPANY (US) 1990-03-22 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 (3 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 MMP13 1826/4885HRH3 4588/4885MMP2 928/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 MMP13 1826/4885HRH3 4588/4885MMP2 928/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 MMP13 3203/4885HRH3 2342/4885MMP2 1498/4885

“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.