SCHEMBL334918

SCHEMBL334918

CCC(CC(=O)Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
GCLC P48506 2/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36

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
SCHEMBL150292 0.82 TSHR (0.38) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL61510 0.79 FOLH1 (0.54) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL26838933 0.79 FOLH1 (0.54) CA2MAPK1SLC1A3SLC1A2SLC1A1
Chloromethane SCHEMBL28143162 0.78 CA2 (0.64) CA2MAPK1SLC1A3SLC1A2SLC1A1
Methylene Chloride SCHEMBL7435842 0.78 FOLH1 (0.48) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL6114 0.78
Ammonia Solution, Strong SCHEMBL28859153 0.77 FOLH1 (0.52) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL10823502 0.77 FOLH1 (0.52) TDP1CHRM1AKR1A1CHRM3HTR2A
Water SCHEMBL15665821 0.77 FOLH1 (0.52) CA2MAPK1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL4145272 0.77 FOLH1 (0.52) CA2MAPK1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117888-B2 Irreversible inhibitors of pyruvate kinase M2 and the use thereof CHINA MEDICAL UNIVERSITY (TW) 2021-09-14 US disclosed
US-20210221801-A1 Irreversible inhibitors of pyruvate kinase M2 and the use thereof CHINA MEDICAL UNIVERSITY (TW) 2021-07-22 US disclosed
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 WO disclosed
US-8729107-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2014-05-20 US disclosed
US-8097638-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2012-01-17 US disclosed
US-20110130429-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2011-06-02 US disclosed
EP-1567497-B1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2009-09-23 EP disclosed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US disclosed
US-7244748-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2007-07-17 US disclosed
EP-1567497-A4 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2006-11-15 EP disclosed
EP-1567497-A2 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE Purdue Research Foundation (US) 2005-08-31 EP disclosed
US-20040171587-A1 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION 2004-09-02 US disclosed
WO-2004052291-A2 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2004-06-24 WO disclosed
US-6737275-B2 OBTAINING SERUM; OBTAINING A REACTION MIXTURE OF AN ACRYLATING COMPOUND AND PERCHLORATE ION; REACTING TO PRODUCE COLORED PRODUCT; MEASURING SPECTRAL DATA FOR COLORED PRODUCT; APPLYING MULTIPLE WAVELENGTH DETECTIION WITH STATISTICAL ANALYSIS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2004-05-18 US disclosed
WO-2003025584-A2 DIRECT SERUM LIPIDS ASSAYS FOR EVALUATION OF DISEASE STATES THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2003-03-27 WO disclosed
US-20020160519-A1 Direct serum lipids assays for evaluation of disease states BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY, THE 2002-10-31 US disclosed
US-5030715-A Antibacterial agents; immunomodulators; auto immune diseases ROUSSEL UCLAF (FR) 1991-07-09 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-20210221801-A1 Irreversible inhibitors of pyruvate kinase M2 and the use thereof PDK2, PDK3, PDK4 CA2 702/4885MAPK1 866/4885SLC1A3 2153/4885
US-11117888-B2 Irreversible inhibitors of pyruvate kinase M2 and the use thereof PDK2, PDK3, PDK4 CA2 702/4885MAPK1 866/4885SLC1A3 2153/4885
US-20040171587-A1 Pyridines for treating injured mammalian nerve tissue P2RY4, INA, P2RY1 CA2 993/4885MAPK1 2940/4885SLC1A3 986/4885
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE P2RY4, INA, PMP22 CA2 971/4885MAPK1 2975/4885SLC1A3 965/4885
US-20110130429-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PMP22, SMN1; SMN2, MUSK CA2 935/4885MAPK1 1814/4885SLC1A3 1405/4885

“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.