SCHEMBL4028312

SCHEMBL4028312

COC(=O)[C@H](CCl)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL1812110 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL24866254 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL6247529 0.83 CAD (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL22207692 0.83 KDM4E (0.39) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064309 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064029 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL12064041 0.82 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL13611400 0.81 KDM4E (0.41) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL5808266 0.80 TGFBR1 (0.44) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL4659641 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTTHRBALOX15

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425907-B Medical gel and application thereof in preparation of magnesium sulfate wet application 中国人民解放军总医院第七医学中心 2024-03-01 CN disclosed
CN-116425907-A Medical gel and application thereof in preparation of magnesium sulfate wet application 中国人民解放军总医院第七医学中心 2023-07-14 CN disclosed
WO-2023280280-A1 FUSED-RING COMPOUND THAT ACTS AS KRAS G12D INHIBITOR 微境生物医药科技(上海)有限公司 2023-01-12 WO disclosed
CN-110642736-A Synthesis method of acetamido-3-methyl chloropropionate 湖北宇阳药业有限公司 2020-01-03 CN disclosed
CN-104003894-A Method for preparing N-acetyl-beta-chlorine-L-alanine methyl ester ZHEJIANG JIAHUA CHEMICAL CO LTD 2014-08-27 CN disclosed
CN-104003894-A Method for preparing N-acetyl-beta-chlorine-L-alanine methyl ester ZHEJIANG JIAHUA CHEMICAL CO LTD 2014-08-27 CN disclosed
WO-2009098251-A1 NOVEL CYCLOALKANONE β-SUBSTITUTED ALANINE DERIVATIVES DSM IP ASSETS B.V. (NL) 2009-08-13 WO disclosed
EP-1615885-A1 B -FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS Warner-Lambert Company LLC (US) 2006-01-18 EP disclosed
US-20050143427-A1 [B]-fused bicyclic proline derivatives and their use for treating arthritic conditions BARVIAN NICOLE C (US) 2005-06-30 US disclosed
WO-2004092132-A1 [B]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-5101039-A Carboxyindoles, hypotensive agents, inhibitors of angiotensin converting enzyme HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-5008400-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4933361-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-12 US disclosed
EP-0084164-B1 DERIVATIVES OF BICYCLIC AMINO ACIDS, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE, AS WELL AS BICYCLIC AMINO ACIDS AS INTERMEDIATES, AND PROCESS FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1987-01-28 EP disclosed
EP-0170775-A1 Derivatives of bicyclic amino acids, processes for their preparation, agents containing them and their use as well as bicyclic amino acids as intermediates and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1986-02-12 EP disclosed
EP-0084164-A2 Derivatives of bicyclic amino acids, process for their preparation, agents containing them and their use, as well as bicyclic amino acids as intermediates, and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-27 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 (1 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-20050143427-A1 [B]-fused bicyclic proline derivatives and their use for treating arthritic conditions PRAP1, PRR12, PPIB SMN1; SMN2 4134/4885KDM4E 3350/4885MAPT 3393/4885

“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.