Sugi Predict

Sugi Predict / Compounds / SCHEMBL4606954

SCHEMBL4606954

SCHEMBL4606954

O[C@H]1CCC[C@@H]1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 8/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP2D6 P10635 4/20 0.46
▸ CYP1A2 P05177 3/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ MAOA P21397 5/20 0.43
▸ MAOB P27338 5/20 0.43
▸ KDM1A O60341 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ CYP2B6 P20813 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43

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
SCHEMBL17846315 1.00 SLC18A3 (0.54) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL4606955 1.00 SLC18A3 (0.54) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL15178310 1.00 SLC18A3 (0.54) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL17846316 1.00 SLC18A3 (0.54) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL4606959 1.00 SLC18A3 (0.54) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL407263 0.95 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL1149307 0.95 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL14026071 0.95 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL3414993 0.95 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL5163055 0.95 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5137887-A Xanthine oxidase inhibitors, antipodagric agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1992-08-11 — — US claimed
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 — — EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 — — US disclosed
US-9845313-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-12-19 — — US disclosed
US-20170304237-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2017-10-26 — — US disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 — — EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 — — US disclosed
EP-3144300-A1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES Daiichi Sankyo Company, Limited (JP) 2017-03-22 — — EP disclosed
US-20170001984-A1 CYCLOALKANE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-05 — — US disclosed
US-9493448-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-11-15 — — US disclosed
US-20140045862-A1 Cycloalkane Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-13 — — US disclosed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 — — EP disclosed
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 — — US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 — — EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 — — US disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 — — WO disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 — — EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 — — WO disclosed
EP-0414200-B1 Salts of optically active 4-hydroxy-8-(3-lower alkoxy-4-phenylsulfinylphenyl)pyrazolo [1,5-a]-1,3,5-triazines and a process for production thereof OTSUKA PHARMA CO LTD (JP) 1995-08-02 — — EP disclosed
US-5137887-A Xanthine oxidase inhibitors, antipodagric agents OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1992-08-11 — — US 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 (5 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-20170304237-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 SLC18A3 4885/4885MEN1 3275/4885KMT2A 3654/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 SLC18A3 2920/4885MEN1 2109/4885KMT2A 3239/4885
US-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 SLC18A3 230/4885MEN1 4050/4885KMT2A 1168/4885
US-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A SLC18A3 616/4885MEN1 3769/4885KMT2A 4560/4885
US-20140045862-A1 Cycloalkane Derivatives TRPV1, TRPA1, SCNN1A SLC18A3 616/4885MEN1 3769/4885KMT2A 4560/4885

“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.