SCHEMBL3318429

SCHEMBL3318429

COc1ccc(-c2ccccc2C(=O)N2CSC[C@H]2C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.42
MMP1 P03956 1/20 0.42
MMP13 P45452 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 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
SCHEMBL3307994 0.88 KDM4E (0.42) GAANPSR1HSD17B10HCRTR1HCRTR2
SCHEMBL3314868 0.87 HCRTR1 (0.41) NPSR1HSD17B10HCRTR1HCRTR2FPR2
SCHEMBL3307921 0.87 TSHR (0.47) MMP9GAANPSR1HSD17B10HCRTR1
SCHEMBL3309753 0.85 SLC6A4 (0.42) HCRTR1HCRTR2FPR2PREPCNR2
SCHEMBL3318435 0.83 POLB (0.40) MMP9MMP1MMP13POLBGAA
SCHEMBL3311253 0.82 HCRTR1 (0.41) NPSR1HSD17B10HCRTR1HCRTR2PREP
SCHEMBL3312345 0.80 CDK4 (0.42) NPSR1HSD17B10HCRTR1HCRTR2PREP
SCHEMBL2931078 0.75 FPR2 (0.41) MMP9MMP1MMP13POLBGAA
SCHEMBL201867 0.74 NPSR1 (0.49) NPSR1HSD17B10
SCHEMBL202879 0.72 ACE (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US claimed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP claimed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO claimed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US disclosed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 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-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R MMP9 4811/4885MMP1 4750/4885MMP13 4575/4885

“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.