SCHEMBL8303828

SCHEMBL8303828

Cc1onc(Cl)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
RECQL P46063 1/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HPGD P15428 1/20 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
SCHEMBL16018264 0.82 TSHR (0.42) ALDH1A1GAALMNAMAPTTSHR
Benzene SCHEMBL28061056 0.81 GAA (0.47) ALDH1A1GAALMNAMAPTTSHR
SCHEMBL223413 0.79 GAA (0.49) ALDH1A1GAALMNAMAPTTSHR
SCHEMBL2807054 0.77 LMNA (0.54) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL4795046 0.77 GAA (0.41) ALDH1A1SMN1; SMN2GAALMNAMAPT
Hydrochloric Acid SCHEMBL19119186 0.77 GAA (0.47) ALDH1A1GAALMNAMAPTTSHR
SCHEMBL6081229 0.76 GAA (0.40) ALDH1A1MAPK1GAALMNAMAPT
SCHEMBL17562966 0.76 GAA (0.43) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL316185 0.73 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2GAALMNAMAPT
SCHEMBL6069726 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937682-B1 MET KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7547782-B2 Met kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
US-7547782-B2 Met kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
WO-2008157273-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2007041379-A1 MET KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078140-A1 MET kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078140-A1 MET kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
CN-1058490-C Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2000-11-15 CN disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
CN-1122333-A Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 1996-05-15 CN disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 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 (1 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-20070078140-A1 MET kinase inhibitors MET, ABL1, ERBB2 ALDH1A1 1225/4885MAPK1 227/4885SMN1; SMN2 4254/4885

“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.