SCHEMBL46642

SCHEMBL46642

CSc1cccc(CC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
STAT3 P40763 1/20 0.45

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
SCHEMBL11612946 0.85 MAPT (0.48) CYP1A2CYP2C19MAPTPOLBMEN1
SCHEMBL5051567 0.85 AKR1B1 (0.56) AKR1B1PRKAG1PRKAA2PRKAB1CYP1A2
SCHEMBL11433204 0.84 MAPT (0.47) CYP1A2CYP2C19MAPTPOLBMEN1
SCHEMBL23621610 0.83 MAPT (0.50) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL7341923 0.82 KEAP1 (0.55) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6650515 0.82 AKR1B1 (0.48) AKR1B1PRKAG1PRKAA2PRKAB1CYP1A2
SCHEMBL8783743 0.81 AKR1B1 (0.57) AKR1B1PRKAG1PRKAA2PRKAB1CYP1A2
SCHEMBL3352605 0.81 AKR1B1 (0.52) AKR1B1PRKAG1PRKAA2PRKAB1CYP1A2
SCHEMBL14820136 0.81 CYP1A2 (0.53) AKR1B1PRKAG1PRKAA2PRKAB1CYP1A2
Hydrochloric Acid SCHEMBL1295813 0.81 MAPT (0.44) CYP1A2CYP2C19MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US claimed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US claimed
US-10293053-B2 Silanol based therapeutic payloads BLINKBIO, INC. (US) 2019-05-21 US disclosed
CN-106700028-B A kind of cathode electrophoresis dope sulfosalt type dispersion resin and preparation method thereof 中海油常州涂料化工研究院有限公司 2019-03-22 CN disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
CN-104419007-B Biomass polysaccharides/polyisobutene graft copolymer and preparation method thereof 北京化工大学 2017-10-31 CN disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
CN-106700028-A Sulfonium salt type dispersion resin for cathodic electrophoretic paint and preparation method of sulfonium salt type dispersion resin 中海油常州涂料化工研究院有限公司 2017-05-24 CN disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1998022430-A1 N-(ARYL/HETEROARYLACETYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING b-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1998022433-A1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO disclosed
US-5663337-A ENZYME, ANTITUMOR GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
US-5661155-A THYMIDYLATE SYNTHASE INHIBITOR; ADMINISTERING TO THE MAMMAL SUFFERING FROM LEUKEMIA OR TUMOR 2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLINE-9-YL) METHYL)AMINO)-1-OXO-2-ISOINDOLINYL)GLUTARIC ACID OR SALTS GLAXO WELLCOME INC. (US) 1997-08-26 US disclosed
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
EP-0535034-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-07 EP disclosed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 WO 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 (3 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-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 AKR1B1 3456/4885PRKAG1 195/4885PRKAA2 174/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 AKR1B1 721/4885PRKAG1 1936/4885PRKAA2 1930/4885
US-10293053-B2 Silanol based therapeutic payloads CD47, CD4, BST2 AKR1B1 3163/4885PRKAG1 4651/4885PRKAA2 4110/4885

“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.