SCHEMBL5700876

SCHEMBL5700876

COC(=O)c1cnc(C(=O)O)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
MAPK1 P28482 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SIRT6 Q8N6T7 1/20 0.46
LCK P06239 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 2/20 0.42
P4HA1 P13674 1/20 0.42
MIF P14174 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41

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
SCHEMBL68869 0.91 MAPK1 (0.63) KDM4EMAPK1L3MBTL1SIRT6LCK
SCHEMBL990711 0.83 MAPK1 (0.55) KDM4EMAPK1L3MBTL1SIRT6LCK
SCHEMBL428719 0.81 MAPK1 (0.53) KDM4EMAPK1L3MBTL1SIRT6LCK
SCHEMBL1858691 0.81 POLB (0.59) MAPK1L3MBTL1ALDH1A1LMNACYP1A2
SCHEMBL70035 0.81 KDM4E (0.59) KDM4EMAPK1L3MBTL1SIRT6HCAR2
SCHEMBL544241 0.79 MAPK1 (0.52) KDM4EMAPK1L3MBTL1SIRT6LCK
SCHEMBL2134366 0.79 MAPK1 (0.52) KDM4EMAPK1L3MBTL1SIRT6LCK
SCHEMBL22119742 0.79 MAPK1 (0.52) KDM4EMAPK1L3MBTL1SIRT6LCK
SCHEMBL64740 0.79 SIRT6 (0.57) KDM4EMAPK1L3MBTL1SIRT6LCK
SCHEMBL13067536 0.79 MAPK1 (0.52) KDM4EMAPK1L3MBTL1SIRT6LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076594-A Sulfonylpiperazinyl compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-05-24 CN disclosed
EP-3390361-B1 N-PHENYL-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION MODULATORS INCYTE CORP (US) 2022-03-16 EP disclosed
US-20210363137-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-11-25 US disclosed
US-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 US disclosed
US-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-04 US disclosed
EP-3212637-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LTD (GB) 2021-06-02 EP disclosed
WO-2021007313-A1 WNT ACTIVATORS AND METHODS OF USE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-01-14 WO disclosed
US-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
CN-107108597-B Dopamine D3 receptor antagonist compounds 英立维尔英国有限公司 2020-04-17 CN disclosed
WO-2020069125-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-02 WO disclosed
US-20170174671-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2017-06-22 US disclosed
WO-2016067043-A1 DOPAMINE D3 RECEPTOR ANTAGONISTS COMPOUNDS INDIVIOR UK LIMITED (GB) 2016-05-06 WO disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
EP-1105775-B1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INC (US) 2006-09-06 EP disclosed
EP-1105775-A4 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INC (US) 2005-04-13 EP disclosed
US-6517746-B1 Polarizing material is a complex of (a) elemental iodine; (b) a hydrohalide acid or an ammonium, alkali metal or alkaline earth halide; (c) a pyrazine-2,5-dicarboxylic acid; and (d) a monoamide or monoester of a pyrazine-2,5-dicarboxylic acid RESEARCH FRONTIERS INCORPORATED 2003-02-11 US disclosed
EP-1105775-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2001-06-13 EP disclosed
WO-2000003178-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2000-01-20 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 (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-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 KDM4E 3324/4885MAPK1 2227/4885L3MBTL1 3137/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC KDM4E 2877/4885MAPK1 1646/4885L3MBTL1 2593/4885
US-20210363137-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS KDM4E 3674/4885MAPK1 3884/4885L3MBTL1 4158/4885
US-20210338825-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN HAVCR2, CUL4A, PSMC3 KDM4E 693/4885MAPK1 4642/4885L3MBTL1 2792/4885
US-20170174671-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS KDM4E 3674/4885MAPK1 3884/4885L3MBTL1 4158/4885

“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.