SCHEMBL426661

SCHEMBL426661

O=CNS(=O)(=O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
MMP8 P22894 3/20 0.50
MMP13 P45452 3/20 0.50
MMP12 P39900 2/20 0.50
MMP1 P03956 2/20 0.50
MMP7 P09237 1/20 0.50
PTGES2 Q9H7Z7 1/20 0.49
GLO1 Q04760 1/20 0.47
CA2 P00918 4/20 0.46
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
MCL1 Q07820 1/20 0.43
BCL2A1 Q16548 1/20 0.43
ACLY P53396 1/20 0.42
CA1 P00915 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL9597342 0.89 GLO1 (0.49) IDO1GLO1CA2MEN1KMT2A
SCHEMBL426473 0.80 CA1 (0.59) MMP8MMP13MMP1GLO1CA2
SCHEMBL6488752 0.79 IDO1 (0.63) IDO1MMP8MMP13MMP12MMP1
SCHEMBL28384263 0.79 IDO1 (0.50) IDO1MMP8MMP13MMP12MMP1
SCHEMBL11976868 0.78 MMP8 (0.55) IDO1MMP8MMP13MMP12MMP1
SCHEMBL10890460 0.76 IDO1 (0.59) IDO1MMP8MMP13MMP12MMP1
SCHEMBL6793104 0.76 IDO1 (0.59) IDO1MMP8MMP13MMP12MMP1
SCHEMBL8987446 0.76 IDO1 (0.59) IDO1MMP8MMP13MMP12MMP1
SCHEMBL16914880 0.76 MMP8 (0.64) IDO1MMP8MMP13MMP12MMP1
SCHEMBL15754219 0.74 L3MBTL1 (0.64) IDO1MMP8MMP13MMP12MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 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 (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-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 IDO1 373/4885MMP8 759/4885MMP13 601/4885

“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.