Sugi Predict

Sugi Predict / Compounds / SCHEMBL1990381

SCHEMBL1990381

SCHEMBL1990381

CC(C(=O)O)c1cccc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.54
▸ PTGS2 P35354 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ CXCR1 P25024 2/20 0.54
▸ CXCR2 P25025 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ RECQL P46063 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ CXCL8 P10145 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ GRM4 Q14833 1/20 0.48

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
SCHEMBL934609 0.85 ADRA1D (0.50) GRM4CNR1CNR2GPR139GSK3B
SCHEMBL2411847 0.85 ADRA1D (0.47) GRM4CNR1CNR2GPR139GSK3B
SCHEMBL28351722 0.82 SRC (0.52) MAPTALDH1A1LMNAGRM4GPR139
SCHEMBL3937797 0.82 PTGS1 (0.56) PTGS1PTGS2CNR1CNR2GPR139
SCHEMBL602096 0.81 PTGS2 (0.69) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL28319350 0.81 GSK3B (0.45) PTGS1PTGS2CNR1CNR2GPR139
SCHEMBL6490821 0.81 GSK3B (0.56) MAPTALDH1A1LMNAGRM4CNR1
SCHEMBL28122440 0.81 MGLL (0.50) PTGS1PTGS2CNR1CNR2GPR139
SCHEMBL23070512 0.80 AKR1C3 (0.67) PTGS1PTGS2MAPTLMNAHPGD
SCHEMBL11467826 0.80 AKR1C3 (0.58) PTGS1PTGS2SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 — — WO disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
CN-112608267-B Synthetic method of 4-phenyl-2-pyrrolidone 赣州中能实业有限公司 2022-10-25 — — CN disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 — — EP disclosed
CN-112608267-A Synthetic method of 4-phenyl-2-pyrrolidone 南京艾斯特医药科技有限公司 2021-04-06 — — CN disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 — — US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 — — US disclosed
CN-108530333-B Preparation method of 4-phenyl-2-pyrrolidone 杭州卢普生物科技有限公司 2020-01-14 — — CN disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 — — EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 — — US disclosed
WO-2013045447-A1 ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-04-04 — — WO disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-03-28 — — US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — US disclosed
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 — — EP disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 — — WO 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 (6 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-20130079377-A1 Aryl or N-heteroaryl Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPA1 PTGS1 710/4885PTGS2 772/4885MAPT 3975/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R PTGS1 2539/4885PTGS2 2652/4885MAPT 387/4885
US-20130079320-A1 Amine Substituted Methanesulfonamide Derivatives as Vanilloid Receptor Ligands TRPV1, TRPA1, TRPV3 PTGS1 536/4885PTGS2 629/4885MAPT 2688/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R PTGS1 2539/4885PTGS2 2652/4885MAPT 387/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R PTGS1 2539/4885PTGS2 2652/4885MAPT 387/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R PTGS1 2539/4885PTGS2 2652/4885MAPT 387/4885

“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.