SCHEMBL167069

SCHEMBL167069

CCOC(=O)c1nc2scc(C)c2c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
HPGD P15428 5/20 0.64
KDM4E B2RXH2 4/20 0.64
GAA P10253 2/20 0.64
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MMP13 P45452 5/20 0.47
MMP8 P22894 4/20 0.47
MMP2 P08253 3/20 0.47
MMP10 P09238 3/20 0.47
PDE5A O76074 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
HTT P42858 2/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42

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
SCHEMBL8280821 0.87 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL941078 0.86 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL4928428 0.86 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EGAACYP1A2
Bromide SCHEMBL4932490 0.86 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL8188247 0.85 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL13343491 0.85 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL688951 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL688393 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL14281845 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL4936623 0.85 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EGAACYP1A2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 US claimed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
US-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
WO-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
US-4234581-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1980-11-18 US disclosed
US-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 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 (5 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 ALDH1A1 1554/4885HPGD 160/4885KDM4E 913/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 ALDH1A1 1042/4885HPGD 96/4885KDM4E 1156/4885
US-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 ALDH1A1 2385/4885HPGD 769/4885KDM4E 1605/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1871/4885HPGD 587/4885KDM4E 1572/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ALDH1A1 423/4885HPGD 131/4885KDM4E 599/4885

“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.