SCHEMBL12011328

SCHEMBL12011328

CC(=O)c1cc(C(C)=O)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
HCAR2 Q8TDS4 10/20 0.42
DAO P14920 1/20 0.42
MME P08473 3/20 0.40
HCAR3 P49019 3/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34
CYTH3 O43739 1/20 0.34
BTK Q06187 1/20 0.34
EPN1 Q9Y6I3 1/20 0.34
ALPL P05186 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
SCHEMBL12168148 0.87 HCAR2 (0.59) MAPK1HCAR2DAOHCAR3CYTH3
SCHEMBL1815487 0.87 MAPK1 (0.48) MAPK1HCAR2DAOHCAR3ALPL
SCHEMBL13279353 0.85 MAPK1 (0.47) MAPK1HCAR2DAOMMEHCAR3
SCHEMBL17672394 0.82 MAPK1 (0.79) MAPK1HCAR2MAPTALPL
SCHEMBL21608068 0.82 CHEK1 (0.54) MAPK1HCAR2DAOMME
SCHEMBL1812854 0.82 MAPK1 (0.79) MAPK1MAPTALPL
SCHEMBL1312019 0.78 MAPK1 (0.53) MAPK1MAPTALPL
SCHEMBL15059496 0.78 MAPK1 (0.53) MAPK1HCAR2DAOMMEALDH1A1
SCHEMBL12092824 0.78 ALPL (0.54) MAPK1ALDH1A1KDM4EMAPTALPL
SCHEMBL26449929 0.78 ALPL (0.45) MAPK1MMEALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
WO-2021189051-A1 ANDROGEN RECEPTOR REGULATION BY SMALL MOLECULE ENANTIOMERS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-09-23 WO disclosed
EP-3280710-B1 PROCESS FOR THE PREPARATION OF ANDROGEN RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF ORION CORP (FI) 2020-02-26 EP disclosed
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC (US) 2014-05-08 US disclosed
US-8642554-B2 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-8252790-B2 Pyrazole-3-carboxamide derivative having 5-HT2B receptor antagonist activity RAQUALIA PHARMA INC. (JP) 2012-08-28 US disclosed
US-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC. (JP) 2011-11-10 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20090104151-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS JOYANT PHARMACEUTICALS, INC (US) 2009-04-23 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20110275628-A1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATIVE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY HTR2B, HTR1B, HTR3B MAPK1 920/4885HCAR2 75/4885DAO 1338/4885
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B MAPK1 1759/4885HCAR2 2637/4885DAO 1306/4885
US-20090104151-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS BID, BAD, BIRC3 MAPK1 3289/4885HCAR2 2915/4885DAO 4558/4885
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents BID, BAD, BIRC3 MAPK1 3289/4885HCAR2 2915/4885DAO 4558/4885
US-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 MAPK1 807/4885HCAR2 300/4885DAO 3861/4885

“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.