SCHEMBL2208516

SCHEMBL2208516

CCOC(=O)c1cc2ccsc2n(C(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 4/20 0.41
MIF P14174 1/20 0.41
PFKFB3 Q16875 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 4/20 0.40
MAOB P27338 4/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL2205399 0.81 KDM1A (0.37) RECQLTSHRPOLBCA12CA2
SCHEMBL7806682 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2210791 0.74 HTR4 (0.53) KDM4EALDH1A1RECQLPOLBCA12
SCHEMBL3336282 0.73 TSHR (0.47) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3336866 0.72 BAZ2B (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3336295 0.72 ALDH1A1 (0.43) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3337719 0.72 KDM4E (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL21295035 0.71 TSHR (0.51) KDM4EALDH1A1HSD17B10RECQLTSHR
SCHEMBL3336291 0.70 TSHR (0.45) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL17554436 0.70 KDM1A (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR

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-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
EP-1746994-A4 THIENOPYRIDINONE COMPOUNDS AND METHODS OF TREATMENT EPIX DELAWARE INC (US) 2008-01-23 EP disclosed
EP-1746994-A2 THIENOPYRIDINONE COMPOUNDS AND METHODS OF TREATMENT Epix Delaware, Inc. (US) 2007-01-31 EP disclosed
US-20060084805-A1 Synthesis of thienopyridinone compounds and related intermediates NANOSHIFT, LLC 2006-04-20 US disclosed
WO-2005121151-A2 THIENOPYRIDINONE COMPOUNDS AND METHODS OF TREATMENT EPIX DELAWARE, INC. (US) 2005-12-22 WO 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 KDM4E 3279/4885ALDH1A1 762/4885HPGD 268/4885
US-20060084805-A1 Synthesis of thienopyridinone compounds and related intermediates HTR5A, GIPR, HTR1A KDM4E 3570/4885ALDH1A1 733/4885HPGD 211/4885
US-20050256153-A1 Thienopyridinone compounds and methods of treatment HTR5A, GIPR, TBXA2R KDM4E 3279/4885ALDH1A1 762/4885HPGD 268/4885

“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.