SCHEMBL2056772

SCHEMBL2056772

COC(=O)c1nc(N(C)C)sc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TRPM8 Q7Z2W7 6/20 0.46
RPS6KB1 P23443 1/20 0.45
CSNK1D P48730 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
NTRK2 Q16620 1/20 0.45
AURKB Q96GD4 1/20 0.45
PKM P14618 3/20 0.44
RCE1 Q9Y256 1/20 0.44
GAA P10253 1/20 0.42
ALDH1A2 O94788 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2056904 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL980677 0.86 PIN1 (0.50) KDM4ESMN1; SMN2TRPM8CSNK1DGSK3A
SCHEMBL1966769 0.85 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2056898 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL981446 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL269910 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL9587412 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL496405 0.82 KDM4E (0.71) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2056664 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL983342 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KDM4E 3641/4885ALDH1A1 690/4885HPGD 2597/4885

“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.