SCHEMBL3034404

SCHEMBL3034404

[S]c1[nH]cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP2A6 P11509 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
PARP1 P09874 1/20 0.37
HPRT1 P00492 1/20 0.36
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 3/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
AHR P35869 3/20 0.32

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
SCHEMBL1672648 0.74 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL23931683 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL2046783 0.70 MAPK1 (0.32) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL291458 0.70 PARP1 (0.41) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL2007326 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL10772733 0.70 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL2430675 0.70 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL7137927 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL7775030 0.70 CYP1A2 (0.42) ALDH1A1HSD17B10CYP2A6TDP1TSHR
SCHEMBL28421357 0.70 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP2A6TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4614819-A REACTING A THIOL ESTER COMPOUND WITH 7-AMINOCEPHALOSPORIN IN PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1986-09-30 US claimed
EP-2486923-B1 Histone deacetylase (HDAC) inhibiting compounds and method of making same FELIX JÄGER UND DR STEFAN DRINKUTH LABORGEMEINSCHAFT OHG DR (DE) 2015-09-09 EP disclosed
WO-2012107304-A1 HISTONE DEACETYLASE (HDAC) INHIBITING COMPOUNDS AND METHOD OF MAKING SAME Dr. Felix Jäger und Dr. Stefan Drinkuth Laborgemeinschaft OHG (DE) 2012-08-16 WO disclosed
EP-2486923-A1 Histone deacetylase (HDAC) inhibiting compounds and method of making same Dr. Felix Jäger und Dr. Stefan Drinkuth Laborgemeinschaft OHG (DE) 2012-08-15 EP disclosed
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 US disclosed
EP-0678505-B1 Oximethers and fungicides containing them BASF AG (DE) 1997-06-04 EP disclosed
EP-0679636-A1 Oximethers and fungicides containing them BASF Aktiengesellschaft (DE) 1995-11-02 EP disclosed
EP-0678505-A1 Oximethers and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1995-10-25 EP disclosed
US-5446067-A For treatment of crops, seeds, soils BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0498188-A2 Oximethers and fungicides containing them BASF Aktiengesellschaft (DE) 1992-08-12 EP disclosed
EP-0121499-A2 Cephalosporins, their preparation and pharmaceutical compositions CIBA-GEIGY AG (CH) 1984-10-10 EP disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP disclosed
EP-0076452-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0070803-A2 Antibiotically active aminotriazolylcephalosporin derivatives and their preparation CIBA-GEIGY AG (CH) 1983-01-26 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 (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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA ALDH1A1 1009/4885HSD17B10 298/4885CYP2A6 306/4885
US-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 ALDH1A1 1391/4885HSD17B10 3089/4885CYP2A6 349/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 ALDH1A1 1141/4885HSD17B10 195/4885CYP2A6 975/4885

“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.