Sugi Predict

Sugi Predict / Compounds / SCHEMBL3763304

SCHEMBL3763304

SCHEMBL3763304

NCCS(=O)(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.54
▸ CA2 P00918 3/20 0.54
▸ KEAP1 Q14145 2/20 0.48
▸ IL1RN P18510 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA4 P22748 1/20 0.47
▸ HTR6 P50406 4/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NR3C2 P08235 1/20 0.43
▸ PGR P06401 1/20 0.42
▸ AR P10275 2/20 0.42
▸ IDO1 P14902 1/20 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
Hydrochloric Acid SCHEMBL21633570 0.98 CA1 (0.52) CA1CA2KEAP1IL1RNERAP1
SCHEMBL6533144 0.87 CA1 (0.56) CA1CA2KEAP1IL1RNERAP1
SCHEMBL28098875 0.85 CA1 (0.47) CA1CA2KEAP1IL1RNERAP1
SCHEMBL1389557 0.85 CA1 (0.47) CA1CA2KEAP1IL1RNERAP1
SCHEMBL12789656 0.83 KEAP1 (0.52) CA1CA2KEAP1IL1RNERAP1
SCHEMBL3923476 0.83 CA1 (0.58) CA1CA2KEAP1IL1RNERAP1
SCHEMBL21596224 0.80 IDO1 (0.66) CA1CA2KEAP1IL1RNERAP1
SCHEMBL3755941 0.80 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL11401454 0.79 CA1 (0.48) CA1CA2KEAP1IL1RNERAP1
SCHEMBL9807346 0.79 CA1 (0.50) CA1CA2KEAP1IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 — — EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 — — US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 — — EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 — — WO claimed
CN-115974723-A Carboxamide ethylene anthracenes compound, pharmaceutical composition containing same and application thereof 中国药科大学 2023-04-18 — — CN disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 — — US disclosed
CN-103492404-B C-4' substituted macrolide derivatives 大正制药株式会社 2016-09-07 — — CN disclosed
EP-2678349-B1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 — — EP disclosed
EP-2238119-B1 Quinazolines and related heterocyclic compounds, and their therapeutic use VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2015-11-25 — — EP disclosed
EP-2238119-B1 Quinazolines and related heterocyclic compounds, and their therapeutic use VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS WETENSCHAPPELIJK ONDERZOEK EN PATIËNTENZORG (NL) 2015-11-25 — — EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 — — US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 — — US disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 — — WO disclosed
EP-1625122-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2006-02-15 — — EP disclosed
US-20040254226-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-16 — — US disclosed
WO-2004103993-A1 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-12-02 — — WO disclosed
WO-2004103993-A1 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-12-02 — — WO disclosed
CN-1071740-C Nitro-benzamides useful as anti-arrhythmic agents SMITHKLINE BEECHAM LAB PHARMA (FR) 2001-09-26 — — CN disclosed
WO-1999021869-A1 ERYTHROMYCIN A, 11,12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 — — WO disclosed
CN-1170402-A Nitrobenzamides as antiarrhythmic agents SMITHKLINE BEECHAM LAB (FR) 1998-01-14 — — CN 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB CA1 4795/4885CA2 4830/4885KEAP1 658/4885
US-20040254226-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 CA1 1549/4885CA2 2105/4885KEAP1 3144/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 CA1 4853/4885CA2 3908/4885KEAP1 3588/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 CA1 4150/4885CA2 3039/4885KEAP1 1397/4885

“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.