Sugi Predict

Sugi Predict / Compounds / SCHEMBL1039965

SCHEMBL1039965

SCHEMBL1039965

CS(=O)(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ MAPT P10636 5/20 0.51
▸ HTT P42858 1/20 0.51
▸ PIN1 Q13526 1/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ KAT2B Q92831 2/20 0.50
▸ PKM P14618 2/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MMP1 P03956 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MLNR O43193 1/20 0.48
▸ MPO P05164 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
SCHEMBL29709934 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL3969549 0.84 KEAP1 (0.59) ALDH1A1MAPK1TDP1MAPTPIN1
SCHEMBL23668194 0.83 KEAP1 (0.45) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL205646 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL27527027 0.81 MEN1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL27182692 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL11166570 0.81 MAPT (0.50) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL7745227 0.80 MAPT (0.69) ALDH1A1MAPK1L3MBTL1MAPTHTT
SCHEMBL26116967 0.80 MEN1 (0.49) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL26343226 0.79 TDP1 (0.56) ALDH1A1L3MBTL1TDP1MAPTPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 — — EP claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 — — WO claimed
CN-114829352-B Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2024-05-31 — — CN disclosed
EP-4206196-A1 PYRIMIDINE SUBSTITUTED DERIVATIVES AS TYK2 INHIBITORS Almirall S.A. (ES) 2023-07-05 — — EP disclosed
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 — — US disclosed
US-20230114177-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ONCOBIX CO., LTD. (KR) 2023-04-13 — — US disclosed
EP-4079730-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Oncobix Co., Ltd. (KR) 2022-10-26 — — EP disclosed
CN-114829352-A Novel deuterated pyrimidine derivative and pharmaceutical composition containing same 昂科比克斯有限公司 2022-07-29 — — CN disclosed
WO-2021125758-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 온코빅스 2021-06-24 — — WO disclosed
WO-2019190259-A1 NOVEL SULFONAMIDE DERIVATIVE HAVING INHIBITORY EFFECT ON EPIDERMAL GROWTH FACTOR RECEPTOR MUTATION 한미약품 주식회사 2019-10-03 — — WO disclosed
CN-110143999-A Have cytotoxicity and antimitotic compound and its application method 酵活有限公司 2019-08-20 — — CN disclosed
WO-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 — — WO disclosed
WO-2009112490-A1 SULFONAMIDES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2009-09-17 — — WO disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 — — US disclosed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 — — EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 — — WO disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 — — EP disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 — — EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 — — WO disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 — — 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 (3 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ALDH1A1 77/4885MAPK1 274/4885L3MBTL1 712/4885
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 ALDH1A1 3656/4885MAPK1 235/4885L3MBTL1 4541/4885
US-20230114177-A1 NOVEL DEUTERIUM-SUBSTITUTED PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ALK, EGFR, ERBB3 ALDH1A1 1074/4885MAPK1 108/4885L3MBTL1 4055/4885

“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.