SCHEMBL10031345

SCHEMBL10031345

Cc1ccc2c(c1)C(=O)CSC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.44
ACHE P22303 1/20 0.44
PARP10 Q53GL7 2/20 0.43
PARP1 P09874 1/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ELANE P08246 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NQO1 P15559 2/20 0.37
POR P16435 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 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
SCHEMBL8474486 0.85 METAP1 (0.44) METAP1ACHEPARP10PARP1MAOA
SCHEMBL1985601 0.77 PARP10 (0.43) METAP1PARP10PARP1CA1CA2
SCHEMBL1986946 0.77 PARP1 (0.43) ACHEPARP10PARP1HTTALDH1A1
SCHEMBL30759524 0.77 PARP10 (0.43) METAP1PARP10PARP1CA1CA2
SCHEMBL21311949 0.74 METAP1 (0.39) METAP1ACHEPARP10PARP1KDM4E
SCHEMBL22271438 0.74 ACHE (0.59) METAP1ACHEPARP10PARP1MAOA
SCHEMBL30465799 0.74 PBRM1 (0.59) METAP1ACHEPARP10PARP1MAOA
SCHEMBL354988 0.74 PBRM1 (0.59) METAP1ACHEPARP10PARP1MAOA
SCHEMBL1986133 0.73 PARP1 (0.47) PARP10PARP1MAOAMAOBATM
SCHEMBL402071 0.73 METAP1 (0.42) METAP1ACHEPARP10PARP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 US disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 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-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, NRDC, SOST METAP1 3038/4885ACHE 2202/4885PARP10 4230/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC METAP1 999/4885ACHE 1217/4885PARP10 3668/4885

“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.