SCHEMBL1324549

SCHEMBL1324549

CCOC(=O)C(=O)CSc1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 13/20 0.51
MTNR1A P48039 12/20 0.51
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
TUBB1 Q9H4B7 2/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL10988098 0.86 MTNR1B (0.44) MTNR1BMTNR1ATUBB4ATUBBTUBA3C
SCHEMBL10988101 0.86 MTNR1B (0.44) MTNR1BMTNR1ATUBB4ATUBBTUBA3C
SCHEMBL1470437 0.81 MEN1 (0.57) MTNR1BMTNR1ATUBB4ATUBBTUBA3C
SCHEMBL7329978 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL16160333 0.79 MTNR1A (0.62) MTNR1BMTNR1AALDH1A1SIRT2EDNRA
SCHEMBL10222071 0.79 CYP1A2 (0.59) MTNR1BMTNR1AALDH1A1EDNRA
SCHEMBL27562982 0.78 MTNR1A (0.57) MTNR1BMTNR1AALDH1A1MAPK1TDP1
SCHEMBL15741849 0.78 MTNR1A (0.57) MTNR1BMTNR1AL3MBTL1EDNRA
SCHEMBL5708195 0.76 MEN1 (0.52) MTNR1BMTNR1ATUBB4ATUBBTUBA3C
SCHEMBL8433161 0.76 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1

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-8058276-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 WO 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-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 MTNR1B 4011/4885MTNR1A 4225/4885TUBB4A 800/4885

“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.