SCHEMBL4282035

SCHEMBL4282035

CC(C)(C)c1ncc(C(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.57
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BTK Q06187 4/20 0.37
ASPH Q12797 1/20 0.37
DAO P14920 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
FFAR2 O15552 1/20 0.35
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL2514314 0.86 HCAR2 (0.55) HCAR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25373854 0.85 HCAR2 (0.53) HCAR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13956211 0.85 HCAR2 (0.53) HCAR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16814173 0.84 ALDH1A1 (0.44) HCAR2SLC6A3KDM4EALDH1A1HPGD
SCHEMBL12868672 0.83 HPGD (0.41) HCAR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18183949 0.82 BTK (0.39) HCAR2SLC6A3KDM4EALDH1A1HPGD
SCHEMBL17936109 0.82 ALDH1A1 (0.38) HCAR2SLC6A3KDM4EALDH1A1HPGD
SCHEMBL26910746 0.80 HCAR2 (0.49) HCAR2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9644194 0.80 HCAR2 (0.52) HCAR2KDM4EALDH1A1ASPHDAO
SCHEMBL3989938 0.80 HCAR2 (0.52) HCAR2KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737449-A1 P53-Y220C SELECTIVE SMALL-MOLECULAR REACTIVATOR COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2026-05-06 EP disclosed
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 CN disclosed
US-20240043436-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2024-02-08 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
EP-4149459-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-03-22 EP disclosed
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2023-03-02 US disclosed
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-5136042-A PROCESS FOR THE PREPARATION OF THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI TOATSU CHEMICALS, INC. (JP) 1992-08-04 US disclosed
EP-0377750-A1 PROCESS FOR PREPARING THIAZOLECARBOXYLIC ACID CHLORIDES MITSUI CHEMICALS, INC. (JP) 1990-07-18 EP 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 (9 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN HCAR2 4117/4885SLC6A3 4054/4885KDM4E 1273/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HCAR2 979/4885SLC6A3 4839/4885KDM4E 1618/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HCAR2 979/4885SLC6A3 4839/4885KDM4E 1618/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS HCAR2 4088/4885SLC6A3 4192/4885KDM4E 3311/4885
US-20240043436-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS HCAR2 4088/4885SLC6A3 4192/4885KDM4E 3311/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HCAR2 979/4885SLC6A3 4839/4885KDM4E 1618/4885
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 HCAR2 348/4885SLC6A3 248/4885KDM4E 1864/4885
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CRBN, CDR2, FABP7 HCAR2 736/4885SLC6A3 1699/4885KDM4E 2325/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 HCAR2 3192/4885SLC6A3 2724/4885KDM4E 2009/4885

“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.