SCHEMBL693860

SCHEMBL693860

CNc1cccc(CC(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.54
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
HSP90AB1 P08238 1/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SYK P43405 1/20 0.44
USP2 O75604 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL2636349 0.85 HTT (0.45) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL12400239 0.85 SLC7A5 (0.68) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL17869670 0.85 SLC7A5 (0.56) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL11628350 0.84 SLC7A5 (0.52) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL4979499 0.83 SLC7A5 (0.51) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL30489996 0.83 SLC7A5 (0.55) SLC7A5ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL17653723 0.83 SLC7A5 (0.55) SLC7A5ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL7338826 0.83 SLC7A5 (0.58) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL10131967 0.82 NEK2 (0.43) SLC7A5HPGDMAPTTSHRSMN1; SMN2
SCHEMBL3104224 0.82 NR1H4 (0.56) KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed
CN-103936716-A Diamide compounds having muscarinic receptor antagonist and beta 2 adrenoceptor agonist activity THERAVANCE INC 2014-07-23 CN disclosed
CN-102405218-B Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2014-06-04 CN disclosed
US-8247452-B2 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-08-21 US disclosed
CN-102405218-A Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2012-04-04 CN disclosed
EP-2421849-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Theravance, Inc. (US) 2012-02-29 EP disclosed
EP-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 EP disclosed
CN-100378083-C Carboxylic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO (JP) 2008-04-02 CN disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-7262220-B2 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-28 US disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
CN-1656085-A Carboxylic acid compound and pharmaceutical preparation containing the same as active ingredient ONO PHARMACEUTICAL CO (JP) 2005-08-17 CN disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 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 (2 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-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE UGP2, UGDH, UMPS SLC7A5 1911/4885ALDH1A1 239/4885GAA 601/4885
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 SLC7A5 2215/4885ALDH1A1 588/4885GAA 2395/4885

“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.