SCHEMBL2204604

SCHEMBL2204604

CC(C)n1c(=O)oc(=O)c2ccsc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
HTR4 Q13639 3/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL23412821 0.77 ELANE (0.36) ELANE
SCHEMBL6383414 0.77 POLB (0.36) ELANEHTR4KCNH2POLB
SCHEMBL2207892 0.76 HSD17B10 (0.39) ELANE
SCHEMBL1523092 0.74 ALDH1A1 (0.42) ELANECYP1A2CYP2C19
SCHEMBL5616743 0.73 ELANE (0.34) ELANE
SCHEMBL2206340 0.73 ELANE (0.40) ELANEKMT2A
SCHEMBL2207598 0.71 ELANE (0.38) ELANEMEN1POLBKMT2A
SCHEMBL6674168 0.70 PARP15 (0.41) HTR4KCNH2MEN1POLBCYP3A4
SCHEMBL6636939 0.70 HTR4 (0.39) HTR4KCNH2CYP1A2CYP2C19
SCHEMBL8745086 0.69 POLB (0.47) ELANEMEN1CYP1A2POLBCYP3A4

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-7982040-B2 Thienopyridinone compounds and methods of treatment NANOTHERAPEUTICS, INC. (US) 2011-07-19 US disclosed
US-7576211-B2 Synthesis of thienopyridinone compounds and related intermediates EPIX DELAWARE, INC. (US) 2009-08-18 US disclosed
US-20090163537-A1 Thienopyridinone Compounds and Methods of Treatment NANOSHIFT, LLC 2009-06-25 US disclosed
US-7488736-B2 Thienopyridinone compounds and methods of treatment EPIX DELAWARE, INC. (US) 2009-02-10 US disclosed
US-20060084805-A1 Synthesis of thienopyridinone compounds and related intermediates NANOSHIFT, LLC 2006-04-20 US disclosed
US-20050256153-A1 Thienopyridinone compounds and methods of treatment NANOSHIFT, LLC 2005-11-17 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 (3 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-20090163537-A1 Thienopyridinone Compounds and Methods of Treatment HTR5A, GIPR, TBXA2R ELANE 1738/4885HTR4 22/4885KCNH2 824/4885
US-20060084805-A1 Synthesis of thienopyridinone compounds and related intermediates HTR5A, GIPR, HTR1A ELANE 2186/4885HTR4 34/4885KCNH2 1035/4885
US-20050256153-A1 Thienopyridinone compounds and methods of treatment HTR5A, GIPR, TBXA2R ELANE 1738/4885HTR4 22/4885KCNH2 824/4885

“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.