SCHEMBL2054770

SCHEMBL2054770

COc1nc(C(F)(F)F)cc(C)c1C(=O)NC(c1ccc(S(=O)(=O)CC2CC2)cc1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.38
SLC6A9 P48067 1/20 0.37
CNR2 P34972 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL2054768 0.90 SLC6A9 (0.40) PDE2ASLC6A9CNR2TRPV1
SCHEMBL2054775 0.81 NPC1 (0.42) PDE2ACNR2
SCHEMBL4719957 0.75 HDAC4 (0.37)
SCHEMBL3543136 0.72 CNR2 (0.32) CNR2TRPV1
SCHEMBL2054774 0.72 RORC (0.32) SLC6A9CNR2TRPV1
SCHEMBL3540933 0.72 HDAC4 (0.41) TRPV1
SCHEMBL2054769 0.72 SLC6A9 (0.49) SLC6A9
SCHEMBL2054767 0.72 MEN1 (0.46) SLC6A9
SCHEMBL5918431 0.70 SLC6A9 (0.35) SLC6A9CNR2TRPV1
SCHEMBL2054766 0.70 NPC1 (0.41) PDE2ASLC6A9TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 PDE2A 2670/4885SLC6A9 112/4885CNR2 623/4885

“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.