SCHEMBL699652

SCHEMBL699652

CCCCCCC[CH]S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
PPARA Q07869 2/20 0.46
EP300 Q09472 1/20 0.43
EPHX2 P34913 1/20 0.43
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL27809538 1.00 TSHR (0.48) TSHRPPARAEP300EPHX2FAAH
SCHEMBL9012336 1.00 TSHR (0.48) TSHRPPARAEP300EPHX2FAAH
SCHEMBL8954181 1.00 TSHR (0.48) TSHRPPARAEP300EPHX2FAAH
SCHEMBL27526927 1.00 TSHR (0.48) TSHRPPARAEP300EPHX2FAAH
SCHEMBL700497 1.00 TSHR (0.48) TSHRPPARAEP300EPHX2FAAH
SCHEMBL27588305 1.00 TSHR (0.48) TSHRPPARAEP300EPHX2FAAH
SCHEMBL266229 0.98 TSHR (0.44) TSHRPPARAEP300EPHX2FAAH
SCHEMBL101407 0.90
SCHEMBL25090 0.79
SCHEMBL6630719 0.78 GPR84 (0.33) TSHRLMNAHSD17B10CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156766-A1 INJECTABLE MELPHALAN COMPOSITIONS COMPRISING A CYCLODEXTRIN DERIVATIVE AND METHODS OF MAKING AND USING THE SAME CYDEX PHARMACEUTICALS, INC. (US) 2024-05-16 US disclosed
US-20240139137-A1 Injectable Nitrogen Mustard Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same CYDEX PHARMACEUTICALS, INC. 2024-05-02 US disclosed
EP-4274561-A1 PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES Quadriga Biosciences, Inc. (US) 2023-11-15 EP disclosed
US-20230348631-A1 PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES QUADRIGA BIOSCIENCES, INC. 2023-11-02 US disclosed
CN-116847855-A Pharmaceutical composition of chemotherapeutic agents based on beta-substituted beta-amino acid derivatives 夸德里加生物科学公司 2023-10-03 CN disclosed
WO-2022148456-A1 PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES QUADRIGA BIOSCIENCES, INC. (US) 2022-07-14 WO disclosed
WO-2022147743-A1 PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES QUADRIGA BIOSCIENCES, INC. (US) 2022-07-14 WO disclosed
US-11020363-B2 Injectable nitrogen mustard compositions comprising a cyclodextrin derivative and methods of making and using the same CYDEX PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-10940128-B2 Injectable melphalan compositions comprising a cyclodextrin derivative and methods of making and using the same CYDEX PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20210046033-A1 Injectable Nitrogen Mustard Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same CYDEX PHARMACEUTICALS, INC. 2021-02-18 US disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
US-8124792-B2 Compounds and methods for rapid labeling of N-glycans PROZYME, INC. (US) 2012-02-28 US disclosed
US-20100311838-A1 Injectable Melphalan Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same CYDEX PHARMACEUTICALS, INC. 2010-12-09 US disclosed
WO-2010138920-A1 INJECTABLE MELPHALAN COMPOSITIONS COMPRISING A CYCLODEXTRIN DERIVATIVE AND METHODS OF MAKING AND USING THE SAME CYDEX PHARMACEUTICALS, INC. (US) 2010-12-02 WO disclosed
EP-2252584-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS Prozyme, Inc. (US) 2010-11-24 EP disclosed
US-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-10-15 US disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
WO-2009100155-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS PROZYME, INC. (US) 2009-08-13 WO disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 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 (8 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-20230348631-A1 PHARMACEUTICAL COMPOSITIONS OF CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACID DERIVATIVES BCAT1, BCAT2, DDC TSHR 4801/4885PPARA 1397/4885EP300 4422/4885
US-10940128-B2 Injectable melphalan compositions comprising a cyclodextrin derivative and methods of making and using the same MCL1, MYADM, IL2 TSHR 3288/4885PPARA 3954/4885EP300 3626/4885
US-11020363-B2 Injectable nitrogen mustard compositions comprising a cyclodextrin derivative and methods of making and using the same GYS2, NOTUM, PYGL TSHR 4211/4885PPARA 3759/4885EP300 4685/4885
US-20100311838-A1 Injectable Melphalan Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same MCL1, MYADM, IL2 TSHR 3288/4885PPARA 3954/4885EP300 3626/4885
US-20210046033-A1 Injectable Nitrogen Mustard Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same GYS2, NOTUM, PYGL TSHR 4211/4885PPARA 3759/4885EP300 4685/4885
US-20240156766-A1 INJECTABLE MELPHALAN COMPOSITIONS COMPRISING A CYCLODEXTRIN DERIVATIVE AND METHODS OF MAKING AND USING THE SAME MCL1, MYADM, IL2 TSHR 3288/4885PPARA 3954/4885EP300 3626/4885
US-20090258437-A1 COMPOUNDS AND METHODS FOR RAPID LABELING OF N-GLYCANS B3GNT2, FUT5, FUT6 TSHR 612/4885PPARA 2399/4885EP300 581/4885
US-20240139137-A1 Injectable Nitrogen Mustard Compositions Comprising a Cyclodextrin Derivative and Methods of Making and Using the Same GYS2, NOTUM, PYGL TSHR 4211/4885PPARA 3759/4885EP300 4685/4885

“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.