SCHEMBL4528696

SCHEMBL4528696

CCOC(=O)C(CN)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
PPARG P37231 2/20 0.59
MMP8 P22894 1/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.52
PPARA Q07869 1/20 0.50
HPRT1 P00492 1/20 0.47
PIN1 Q13526 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
CPA1 P15085 2/20 0.46
CPA3 P15088 2/20 0.46
FOLH1 Q04609 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL8466458 1.00 EPHX2 (0.59) EPHX2PPARGMMP8MEN1NPC1
Hydrochloric Acid SCHEMBL1185928 0.98 EPHX2 (0.58) EPHX2PPARGMMP8MEN1NPC1
Trifluoroacetic Acid SCHEMBL7345257 0.93 EPHX2 (0.53) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL10521821 0.90 MMP8 (0.61) EPHX2PPARGMMP8MEN1NPC1
Hydrochloric Acid SCHEMBL27703420 0.86 PPARG (0.47) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL15479082 0.86 PPARG (0.58) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL3504311 0.86 EPHX2 (0.70) EPHX2PPARGMMP8MEN1NPC1
SCHEMBL4240908 0.85 CYP1A2 (0.53) MEN1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL29556857 0.85 CYP1A2 (0.53) MEN1KMT2ACYP1A2SLC1A3SLC1A2
SCHEMBL3184765 0.85 PPARG (0.57) EPHX2PPARGMMP8MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed
CN-106191147-B Preparation method of chiral β -amino acid 凯莱英医药集团(天津)股份有限公司 2020-03-27 CN disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
US-5981580-A IN WHICH THE CARBOXY-TERMINUS HAS BEEN MODIFIED TO FORM VARIOUS AMIDES, ESTERS, KETONES, ALCOHOLS, ALCOHOL ESTERS AND NITRITES THEREOF, AND ARE USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME G. D. SEARLE & CO. (US) 1999-11-09 US disclosed
US-5952377-A SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS; TREATING AIDS, LENTIVIRUSES SUCH AS THE HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
US-5929110-A USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AND AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS OF SUCH AGENTS G. D. SEARLE & CO. (US) 1999-07-27 US disclosed
US-5859052-A TREATING LENTIVIRUS INFECTIONS, ESPECIALLY HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
US-5744631-A Fatty acid analogs and prodrugs G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
US-5719290-A METHYLOXYUNDECYL- OR DECYLOXYETHYL-NITRILE OR TETRAZOLE DERIVATIVES; VIRICIDES G. D. SEARLE & CO. (US) 1998-02-17 US disclosed
US-5712417-A Inhibitors of retroviral proteases ABBOTT LABORATORIES (US) 1998-01-27 US disclosed
US-5672769-A CHEMICAL INTERMEDIATES FOR VIRICIDES, FUNGICIDES G. D. SEARLE & CO. (US) 1997-09-30 US disclosed
US-5670650-A ANTIVIRAL AND ANTIFUNGAL AGENTS G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5599947-A VIRICIDES, FUNGICIDES OR THEIR PRODRUGS G. D. SEARLE & CO. (US) 1997-02-04 US disclosed
EP-0428849-A2 Retroviral protease inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-29 EP disclosed
US-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA EPHX2 2031/4885PPARG 1327/4885MMP8 1206/4885

“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.