SCHEMBL2497828

SCHEMBL2497828

O=C(O)c1csc(CCl)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP13 P45452 2/20 0.53
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PLA2G4A P47712 1/20 0.41
RAB9A P51151 3/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL456898 0.84 MAPT (0.39) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL6032515 0.82 MAPT (0.38) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL457576 0.82 MMP2 (0.54) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL2839000 0.82 MMP1 (0.54) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL3597949 0.80 MMP1 (0.53) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL1244889 0.80 MMP1 (0.53) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL743961 0.80 MMP13 (0.57) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL13614850 0.80 MMP1 (0.53) MMP1MMP2MMP9MMP13KDM4E
Hydrochloric Acid SCHEMBL23120712 0.78 MMP1 (0.51) MMP1MMP2MMP9MMP13KDM4E
SCHEMBL1178250 0.78 MAOA (0.46) KDM4EALDH1A1RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279845-A1 METHOD FOR PREPARING A LIBRARY OF PEPTIDES OR A PEPTIDE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2024-08-22 US disclosed
CN-117897391-A Method for preparing peptide library or peptide 洛桑联邦政府综合工科学校(EPFL) 2024-04-16 CN disclosed
EP-4341272-A1 METHOD FOR PREPARING A LIBRARY OF PEPTIDES OR A PEPTIDE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2024-03-27 EP disclosed
WO-2022242993-A1 METHOD FOR PREPARING A LIBRARY OF PEPTIDES OR A PEPTIDE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2022-11-24 WO disclosed
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 EP disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN disclosed
US-7365225-B2 Aryl dicarboxamides LABORATOIRES SERONO SA (CH) 2008-04-29 US disclosed
US-20060189583-A1 Aryl dicarboxamides MERCK SERONO SA (CH) 2006-08-24 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 (2 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-20060189583-A1 Aryl dicarboxamides GPR119, PTPRS, ECHS1 MMP1 2239/4885MMP2 2456/4885MMP9 4732/4885
US-20240279845-A1 METHOD FOR PREPARING A LIBRARY OF PEPTIDES OR A PEPTIDE VIP, PTMS, LANCL1 MMP1 4090/4885MMP2 3125/4885MMP9 4389/4885

“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.