Sugi Predict

Sugi Predict / Compounds / SCHEMBL68923

SCHEMBL68923

SCHEMBL68923

CCOC(=O)c1ccc2[nH]c(C(=O)OCC)cc2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.84
▸ MMP13 P45452 8/20 0.82
▸ MMP2 P08253 6/20 0.82
▸ KDM4E B2RXH2 5/20 0.76
▸ ALDH1A1 P00352 5/20 0.76
▸ RAB9A P51151 4/20 0.76
▸ HPGD P15428 4/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ NPC1 O15118 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ HTT P42858 1/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ MEN1 O00255 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ GLA P06280 1/20 0.65
▸ GAA P10253 1/20 0.65
▸ ATM Q13315 1/20 0.65
▸ MMP14 P50281 4/20 0.64

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
SCHEMBL1306748 0.91 HRH3 (1.00) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL6518479 0.91 HRH3 (0.80) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL2342439 0.91 HRH3 (0.80) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL6517054 0.90 MMP13 (1.00) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL6517340 0.90 HRH3 (0.78) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL3242684 0.89 HRH3 (0.72) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL6512101 0.89 HRH3 (0.76) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL6512775 0.89 HRH3 (0.71) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL71101 0.88 ALOX15 (0.72) HRH3MMP13MMP2KDM4EALDH1A1
SCHEMBL8205173 0.88 MMP13 (0.72) HRH3MMP13MMP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110404073-A Treat hepatitis b virus infected method and pharmaceutical composition INSERM INSTITUT NATIONAL DE LASANTE ET DE LA RECH MEDICALE 2019-11-05 — — CN disclosed
CN-105764569-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2019-09-13 — — CN disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 — — EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 — — US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 — — US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 — — US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 — — US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HRH3 4588/4885MMP13 1826/4885MMP2 928/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 HRH3 24/4885MMP13 4351/4885MMP2 2996/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRH3 4588/4885MMP13 1826/4885MMP2 928/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HRH3 2342/4885MMP13 3203/4885MMP2 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.