Sugi Predict

Sugi Predict / Compounds / SCHEMBL1143218

SCHEMBL1143218

SCHEMBL1143218

N[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.68
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ DPP4 P27487 2/20 0.44
▸ KCNN4 O15554 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL1143220 1.00 KCNA5 (0.68) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL1152870 1.00 KCNA5 (0.68) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL1153036 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1ADRA2A
SCHEMBL17045047 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL17045046 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL1153033 0.86 KCNA5 (0.54) KCNA5KDM4ELMNAMAPK1ADRA2A
SCHEMBL1153251 0.83 KCNA5 (0.51) KCNA5ALDH1A1MEN1KMT2A
SCHEMBL1153248 0.83 KCNA5 (0.51) KCNA5ALDH1A1MEN1KMT2A
SCHEMBL8958995 0.82 KCNA5 (0.53) KCNA5KDM4ELMNAMAPK1DPP4
SCHEMBL9120791 0.82 KCNA5 (0.53) KCNA5KDM4ELMNAMAPK1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637457-B2 Process for the stereoselective preparation of a pyrazole-carboxamide SYNGENTA PARTICIPATIONS AG (CH) 2017-05-02 — — US disclosed
US-9637457-B2 Process for the stereoselective preparation of a pyrazole-carboxamide SYNGENTA PARTICIPATIONS AG (CH) 2017-05-02 — — US disclosed
US-20160108001-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 — — US disclosed
US-20160108001-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 — — US disclosed
WO-2014206855-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2014-12-31 — — WO disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034654-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS UNIVERSITETET I OSLO (NO) 2011-02-10 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
EP-2240521-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS Universitetet I Oslo (NO) 2010-10-20 — — EP disclosed
CN-100575338-C Compound of optically pure sulfenamides and application thereof CHENGDU BIOLOGY RES INST OF THE CHINESE ACADEMY OF SCIENCES 2009-12-30 — — CN disclosed
WO-2009087177-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS UNIVERSITETET I OSLO (NO) 2009-07-16 — — WO disclosed
EP-2061748-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS Office Of Intellectual Property And Technology (US) 2009-05-27 — — EP disclosed
WO-2008027740-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS OFFICE OF INTELLECTUAL PROPERTY AND TECHNOLOGY (US) 2008-03-06 — — WO disclosed
CN-1927830-A Compound of optically pure sulfenamides and application thereof CHENGDU BIOLOGY RES INST OF TH (CN) 2007-03-14 — — CN disclosed
EP-1213293-B1 Use of chiral, uncharged metal compounds as doting agents for liquid crystals BASF AG (DE) 2004-06-23 — — EP disclosed
EP-1213293-A1 Use of chiral, uncharged metal compounds as doting agents for liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 — — 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 (4 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-20110034654-A1 POLYMER ORGANOCATALYST AND PREPARATION PROCESS HRH3, HRH4, H1-3 KCNA5 3101/4885KDM4E 2335/4885LMNA 1070/4885
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 KCNA5 2826/4885KDM4E 1274/4885LMNA 1805/4885
US-20160108001-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF A PYRAZOLE-CARBOXAMIDE CYP3A4, CYP2C9, CYP2C19 KCNA5 510/4885KDM4E 788/4885LMNA 2582/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KCNA5 1416/4885KDM4E 1963/4885LMNA 1069/4885

“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.