SCHEMBL9710840

SCHEMBL9710840

Nc1sccc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
AKR1B1 P15121 2/20 0.42
GABRA5 P31644 3/20 0.40
GABRB2 P47870 3/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11079970 0.83 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11079964 0.82 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11808734 0.80 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL10424599 0.77 AKR1B1 (0.43) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL11636866 0.76 KEAP1 (0.40) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL2779682 0.75 PTPN2 (0.43) KMT2AMAPK1MAPTLMNAAKR1B1
SCHEMBL2684375 0.75 SLC6A4 (0.44) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL3532102 0.75 KEAP1 (0.45) KMT2AMAPK1MAPTAKR1B1KEAP1
SCHEMBL11420003 0.75 AKR1B1 (0.42) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL1136796 0.75 AKR1B1 (0.42) KMT2AMEN1MAPK1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336769-B Thienopyrimidine ketone acyl sulfonamide derivative as well as preparation method and application thereof 山东大学 2022-06-24 CN claimed
CN-113336769-A Thienopyrimidone acylsulfonamide derivative and preparation method and application thereof 山东大学 2021-09-03 CN claimed
CN-111249805-B Electret nanofiber filtering material and preparation method thereof 厦门理工学院 2022-07-12 CN disclosed
CN-111249805-A Electret nanofiber filtering material and preparation method thereof 厦门理工学院 2020-06-09 CN disclosed
CN-103980287-B Containing the preparations and applicatio of the thienopyrimidines of chromone hydrazone structure JIANGXI SCIENCE & TECHNOLOGY NORMAL UNIVERSITY (CN) 2016-04-06 CN disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
CN-102485724-B Substituted thiophene base pyrazolo-pyridines and medicinal use thereof Institute of Toxicology and Drugs, Chinese Academy of Military Medical Sciences (CN) 2015-08-12 CN disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US disclosed
CN-103980287-A Preparation method and application of thienopyrimidine compound containing chromone hydrazone structure UNIV JIANGXI NORMAL SCI & TECH 2014-08-13 CN disclosed
CN-102471338-B Novel azaheterocyclic compounds MERCK PATENT GMBH 2014-07-02 CN disclosed
CN-101437816-B 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC 2013-08-14 CN disclosed
CN-101437816-A 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed
CN-101107253-A Mitotic kinesin inhibitors MERCK & CO INC (US) 2008-01-16 CN disclosed
CN-101094845-A Substituted thiophenes AICURIS GMBH & CO KG (DE) 2007-12-26 CN disclosed
CN-101061123-A Thienopyridinone compounds and methods of treatment EPIX DELAWARE INC (US) 2007-10-24 CN disclosed
CN-1269793-A Pyrimidin-2-oxo-4-one and pyrimidin-2-oxo-4-thione derivatives NOVARTIS AG (CH) 2000-10-11 CN disclosed
CN-1021051-C THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING SAME TANABE SEIYAKU CO (JP) 1993-06-02 CN disclosed
EP-0499376-A1 Precipitation-induced asymmetric transformation of chiral alpha-amino acids and salts thereof HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed
CN-1030584-A Novel thiophene derivant and preparation method thereof TANABE SEIYAKU CO (JP) 1989-01-25 CN disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 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 (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-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 KMT2A 2327/4885MEN1 1180/4885ALDH1A1 266/4885

“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.