SCHEMBL3979989

SCHEMBL3979989

NC(=O)c1ccsc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
MAPK1 P28482 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
BCAT2 O15382 1/20 0.48
DHODH Q02127 1/20 0.47
PTK2 Q05397 1/20 0.47
GAA P10253 2/20 0.46
MAPK8 P45983 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.44
FABP4 P15090 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
AXL P30530 1/20 0.43
LMNA P02545 1/20 0.43
MAPK10 P53779 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
SCHEMBL2889862 0.86 MAPT (0.61) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL69159 0.84 ALDH1A1 (0.58) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4908303 0.83 BCAT2 (0.53) ALDH1A1MAPTMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5553175 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL29228925 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL29161457 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL31622301 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3375243 0.81 MAPT (0.55) ALDH1A1MAPTMAPK1MEN1KMT2A
Malonic Acid SCHEMBL2887012 0.80 MAPT (0.50) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL3621051 0.78 DHODH (0.51) ALDH1A1MAPTMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593232-B Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors 华北制药集团新药研究开发有限责任公司 2018-06-26 CN disclosed
EP-3181569-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME UBE Industries, Ltd. (JP) 2017-06-21 EP disclosed
CN-105593232-A Benzoxazoloxazinone compounds as coagulation factor Xa inhibitors NORTH CHINA PHARMACEUTICAL NEW DRUG R & D CO LTD 2016-05-18 CN disclosed
WO-2012156948-A1 ORGANIC SEMICONDUCTOR MATERIAL E.T.C. S.R.L. (IT) 2012-11-22 WO disclosed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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 (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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL ALDH1A1 297/4885MAPT 3897/4885MAPK1 1086/4885

“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.