SCHEMBL819388

SCHEMBL819388

CC(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.48
POLB P06746 2/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 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
SCHEMBL10782304 0.86 KMT2A (0.59) KMT2AMEN1CA1CA2MMP1
SCHEMBL6276454 0.80 KMT2A (0.53) KMT2AMEN1CA1CA2MMP1
SCHEMBL4069065 0.79 KMT2A (0.61) KMT2AMEN1CA1CA2MMP1
SCHEMBL6543900 0.79 KMT2A (0.67) KMT2AMEN1CA1CA2MMP1
SCHEMBL2913624 0.79 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL2039879 0.78 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL11566827 0.78 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL30446303 0.78 KMT2A (1.00) KMT2AMEN1CA1CA2MMP1
SCHEMBL23640082 0.77 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1
SCHEMBL19469362 0.77 KMT2A (0.58) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940658-A Preparation process and preparation method of ceritinib 山东华阳药业有限公司 2022-08-26 CN claimed
CN-118772116-A 2, 4-Diaryl aminopyrimidine compound and preparation method and application thereof 南通常佑药业科技有限公司 2024-10-15 CN disclosed
CN-112574255-B Organic arsine-based CDK inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2024-05-10 CN disclosed
US-20230357173-A1 PROCESS OF MAKING DERIVATIVES OF SUBSTITUTED MORPHOLINES SUPERNUS PHARMACEUTICALS, INC. (US) 2023-11-09 US disclosed
US-20230338572-A1 ANTI-TM4SF1 ANTIBODY-DRUG CONJUGATES COMPRISING CLEAVABLE LINKERS AND METHODS OF USING SAME ANGIEX, INC. 2023-10-26 US disclosed
US-20230295100-A1 PROCESS OF MAKING DERIVATIVES OF SUBSTITUTED MORPHOLINES SUPERNUS PHARMACEUTICALS, INC. (US) 2023-09-21 US disclosed
CN-114940658-A Preparation process and preparation method of ceritinib 山东华阳药业有限公司 2022-08-26 CN disclosed
CN-106336382-B 4-saturated cyclic substituted aniline protein kinase inhibitor 杭州雷索药业有限公司 2022-04-05 CN disclosed
WO-2021057867-A1 CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-04-01 WO disclosed
CN-112574255-A Organic arsine-based CDK inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2021-03-30 CN disclosed
US-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-06-14 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 US disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
WO-2009120795-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
US-5216138-A With vinyl sulfonyl group HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 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 (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-20230295100-A1 PROCESS OF MAKING DERIVATIVES OF SUBSTITUTED MORPHOLINES UGT2B7, CYP3A7, CYP3A4 KMT2A 2551/4885MEN1 260/4885CA1 3940/4885
US-20120149900-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS KMT2A 1417/4885MEN1 81/4885CA1 417/4885
US-20230338572-A1 ANTI-TM4SF1 ANTIBODY-DRUG CONJUGATES COMPRISING CLEAVABLE LINKERS AND METHODS OF USING SAME TM9SF4, TM9SF2, TMPRSS4 KMT2A 3053/4885MEN1 1738/4885CA1 1797/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 KMT2A 1616/4885MEN1 405/4885CA1 1711/4885
US-20230357173-A1 PROCESS OF MAKING DERIVATIVES OF SUBSTITUTED MORPHOLINES UGT2B7, CYP3A7, CYP3A4 KMT2A 2551/4885MEN1 260/4885CA1 3940/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS KMT2A 1417/4885MEN1 81/4885CA1 417/4885

“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.