SCHEMBL1492740

SCHEMBL1492740

CC(C)(C(=O)O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TSHR P16473 1/20 0.40
KIF11 P52732 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
Hydrochloric Acid SCHEMBL9402263 0.98 DAO (0.42) DAOCES2CES1TSHRKIF11
SCHEMBL6675248 0.84 DAO (0.41) DAOCES2CES1TSHRKIF11
SCHEMBL73588 0.83 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL41617 0.83 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL599752 0.83 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL1421302 0.83 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL7432298 0.83 DAO (0.43) DAOCES2CES1TSHRKIF11
SCHEMBL5758336 0.82 MAPT (0.48) DAOCES2CES1TSHRKIF11
SCHEMBL9235584 0.82 CNR1 (0.40) DAOCES2CES1TSHRALOX5
SCHEMBL1827117 0.82 DAO (0.42) DAOCES2CES1TSHRKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150265613-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC (US) 2015-09-24 US disclosed
US-8993632-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-03-31 US disclosed
EP-2835367-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme AbbVie Inc. (US) 2015-02-11 EP disclosed
US-8791268-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
US-8642775-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
CN-102816081-A Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LAB 2012-12-12 CN disclosed
US-20120289512-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2012-11-15 US disclosed
US-8198331-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2012-06-12 US disclosed
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-07-28 US disclosed
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
US-5296454-A Acetanilide herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-22 US disclosed
CN-1083070-A Steroid derivatives for the treatment of prostatic hypertrophy, process for their preparation and their use SANKYO CO (JP) 1994-03-02 CN disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
CN-1070645-A Imidazolyl-alkenoic acids SMITHKLINE BEECHAM CORP (US) 1993-04-07 CN disclosed
EP-0521365-A1 Acetanilides NIHON BAYER AGROCHEM K.K. (JP) 1993-01-07 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 (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-20150265613-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 DAO 993/4885CES2 110/4885CES1 26/4885
US-20120289512-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD11B2, HSD17B1 DAO 993/4885CES2 110/4885CES1 26/4885
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 DAO 4349/4885CES2 2071/4885CES1 3098/4885

“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.