SCHEMBL2512261

SCHEMBL2512261

Cc1nc(CC(=O)O)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.43
GABRA5 P31644 2/20 0.39
GABRB2 P47870 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
GABRR2 P28476 1/20 0.37
GABRA4 P48169 1/20 0.37
MAPT P10636 3/20 0.36
PMP22 Q01453 1/20 0.36
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.35
GAA P10253 1/20 0.34

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
Hydrochloric Acid SCHEMBL1375897 0.98 GABRR1 (0.42) GABRR1GABRA5GABRB2HSD17B10ALDH1A1
SCHEMBL30559561 0.84 GABRR1 (0.33) GABRR1GABRA5GABRB2HSD17B10ALDH1A1
SCHEMBL7842867 0.82 SMN1; SMN2 (0.34) GABRR1SMN1; SMN2
SCHEMBL3930088 0.82 NPSR1 (0.42) HSD17B10ALDH1A1KDM4EL3MBTL1CYP2C19
SCHEMBL7676177 0.82 HTT (0.44) GABRR1ALDH1A1L3MBTL1MAPTGAA
Hydrochloric Acid SCHEMBL25439022 0.81 NPSR1 (0.41) HSD17B10KDM4EL3MBTL1
SCHEMBL682587 0.81 USP2 (0.49) HSD17B10ALDH1A1KDM4EPOLBTDP1
Acetic Acid SCHEMBL15528121 0.78 NOTUM (0.31) GABRR1KDM4EGAASMN1; SMN2
SCHEMBL8212933 0.78 KMT2A (0.48) HSD17B10ALDH1A1KDM4EPOLBTDP1
SCHEMBL2135701 0.78 ALDH1A1 (0.42) GABRR1GABRA5GABRB2HSD17B10ALDH1A1

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
US-20250076302-A1 DETECTING THE PRESENCE OF URINARY STONE DISEASE USING A PLURALITY OF URINARY METABOLITES THE CLEVELAND CLINIC FOUNDATION 2025-03-06 US disclosed
EP-4103946-B1 IN-VITRO DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME IMMUNDIAGNOSTIK AG (DE) 2024-03-13 EP disclosed
US-20230109016-A1 IN-VITRO DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME IMMUNDIAGNOSTIK AG (DE) 2023-04-06 US disclosed
WO-2023017050-A1 DIFFERENTIAL DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME IMMUNDIAGNOSTIK AG (DE) 2023-02-16 WO disclosed
EP-4134672-A1 DIFFERENTIAL DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME Immundiagnostik AG (DE) 2023-02-15 EP disclosed
EP-4103946-A1 IN-VITRO DIAGNOSIS OF HISTAMINE INTOLERANCE SYNDROME Immundiagnostik AG (DE) 2022-12-21 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3965820-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY The Regents of the University of California (US) 2022-03-16 EP disclosed
EP-3434674-B1 ((4-(2-OXOIMIDAZOLIDINE-1-YL)PYRIMIDIN-2-YL)AMINE DERIVATIVES AS MUTANT IDH INHIBITORS FOR TREATING CANCER SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-02-24 EP disclosed
WO-2020226683-A1 COMPOSITIONS AND METHODS FOR PROMOTING HEALTHY NEURAL DEVELOPMENT IN AN UNBORN BABY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-12 WO disclosed
WO-2008153385-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH B.V. (NL) 2008-12-18 WO disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
EP-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050031-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 EP disclosed