SCHEMBL1834434

SCHEMBL1834434

CC1CC(=O)N(OC(=O)OC2c3ccccc3-c3ccccc32)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TSHR P16473 3/20 0.33
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ACHE P22303 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32

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
SCHEMBL30477497 1.00 POLB (0.37) POLBSLC6A4SLC6A3CRHBPCRHR2
SCHEMBL9461467 0.81 POLB (0.39) POLBSLC6A4SLC6A3TSHRKMT2A
SCHEMBL28536408 0.79 POLB (0.39) POLBSLC6A4SLC6A3CRHBPCRHR2
SCHEMBL27777776 0.75 POLB (0.53) POLBSLC6A4SLC6A3TSHRKMT2A
SCHEMBL21925569 0.73 LMNA (0.36) POLBTSHRKMT2AHDAC3HDAC4
SCHEMBL20026779 0.72 KMT2A (0.41) TSHRKMT2AALDH1A1
SCHEMBL434649 0.72 POLB (0.52) POLBSLC6A4SLC6A3TSHRKMT2A
SCHEMBL18947918 0.72 BRD4 (0.30) BRD4
SCHEMBL472820 0.70 TSHR (0.41) POLBTSHRKMT2ACACNA1G
SCHEMBL28468467 0.70 TSHR (0.38) POLBSLC6A4SLC6A3TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508476-B1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION SHANGHAI KECHOW PHARMA INC (CN) 2023-11-22 EP disclosed
CN-114163354-B Preparation method of N-fluorenylmethoxycarbonyl-N-trityl-L-asparagine 常州吉恩药业有限公司 2023-05-05 CN disclosed
EP-3640242-B1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN LTD (CN) 2023-04-19 EP disclosed
US-11078161-B2 Rock-inhibiting compound and uses thereof HITGEN INC. (CN) 2021-08-03 US disclosed
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation SHANGHAI KECHOW PHARMA, INC (CN) 2021-05-18 US disclosed
CN-109134367-B Compound for inhibiting ROCK and application thereof 成都先导药物开发股份有限公司 2020-10-02 CN disclosed
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN INC. (CN) 2020-06-18 US disclosed
EP-3640242-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF Hitgen Ltd. (CN) 2020-04-22 EP disclosed
EP-3508476-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) 2019-07-10 EP disclosed
US-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION SHANGHAI KECHOW PHARMA, INC. (CN) 2019-07-04 US disclosed
US-20060228784-A1 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain, and processes for producing these GLYTECH, INC (JP) 2006-10-12 US disclosed
US-20060166929-A1 Sugar-chain asparagine derivatives and processes for the preparation thereof OTSUKA CHEMICAL CO., LTD. (JP) 2006-07-27 US disclosed
CN-1809590-A Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia AVANIR PHARMACEUTICALS (US) 2006-07-26 CN disclosed
EP-1577397-A1 SUGAR CHAIN ASPARAGINE DERIVATIVES, SUGAR CHAIN ASPARAGINE, SUGAR CHAIN, AND PROCESSES FOR PRODUCING THESE Kajihara, Yasuhiro (JP) 2005-09-21 EP disclosed
EP-1577316-A1 SUGAR-CHAIN ASPARAGINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Kajihara, Yasuhiro (JP) 2005-09-21 EP disclosed
US-20040181054-A1 Process for producing sugar chain asparagine derivative GLYTECH, INC. (JP) 2004-09-16 US disclosed
EP-1405858-A1 PROCESS FOR PRODUCING SUGAR CHAIN ASPARAGINE DERIVATIVE Otsuka Chemical Holdings Co., Ltd. (JP) 2004-04-07 EP disclosed
EP-0808829-B1 Fluorescent group-containing carbodiimide compound NISSHIN SPINNING (JP) 2003-04-09 EP disclosed
US-5856479-A LABEL FOR NUCLEIC ACID DETECTION, IMMUNOASSAY OR CHEMILUMINESCENCE NISSHINBO INDUSTRIES, INC. (JP) 1999-01-05 US disclosed
EP-0808829-A1 Fluorescent group-containing carbodiimide compound NISSHINBO INDUSTRIES, INC. (JP) 1997-11-26 EP 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-20060228784-A1 Sugar chain asparagine derivatives, sugar chain asparagine, sugar chain, and processes for producing these FUT6, B3GNT2, FUT5 POLB 3145/4885SLC6A4 687/4885SLC6A3 711/4885
US-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION MGMT, PRMT8, SULT1A1 POLB 4038/4885SLC6A4 1311/4885SLC6A3 1290/4885
US-11078161-B2 Rock-inhibiting compound and uses thereof ROCK1, ROCK2, RHOA POLB 4662/4885SLC6A4 4162/4885SLC6A3 3375/4885
US-20060166929-A1 Sugar-chain asparagine derivatives and processes for the preparation thereof ASNS, B3GNT2, FUT6 POLB 2850/4885SLC6A4 573/4885SLC6A3 737/4885
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF ROCK1, ROCK2, RHOA POLB 4662/4885SLC6A4 4162/4885SLC6A3 3375/4885
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation MGMT, GSTA1, PRMT1 POLB 3798/4885SLC6A4 2162/4885SLC6A3 2618/4885

“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.