SCHEMBL751534

SCHEMBL751534

COc1cc(S(=O)(=O)Cl)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
KDR P35968 2/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL31079411 0.87 MAPK1 (0.54) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL1364551 0.87 MAPK1 (0.54) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL16908533 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EFLT1FLT4KDR
Hydrochloric Acid SCHEMBL9360725 0.85 MAPK1 (0.53) ALDH1A1KDM4EHPGDMAPK1POLB
SCHEMBL28242926 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDFLT1FLT4
SCHEMBL642859 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDFLT1FLT4
SCHEMBL1050258 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL25421661 0.83 HTT (0.53) ALDH1A1KDM4EHPGDMAPK1TSHR
SCHEMBL10669297 0.81 MAPT (0.60) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL7244684 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDFLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO disclosed
EP-0734378-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1996-10-02 EP disclosed
WO-1995016674-A1 AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE SMITHKLINE BEECHAM PLC (GB) 1995-06-22 WO disclosed
US-4696931-A CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-09-29 US disclosed
US-4582837-A Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity DR. KARL THOMAE GMBH (DE) 1986-04-15 US disclosed
EP-0098448-A2 Imidazole derivatives, their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1984-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ALDH1A1 353/4885KDM4E 610/4885HPGD 770/4885

“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.