SCHEMBL2054768

SCHEMBL2054768

COc1nc(C(F)(F)F)cc(C)c1C(=O)NC(c1ccc(S(=O)(=O)CC2CC2)cc1)C1CCC(F)(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.40
PDE2A O00408 12/20 0.38
TRPV1 Q8NER1 5/20 0.36
CCR5 P51681 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL2054770 0.90 PDE2A (0.38) SLC6A9PDE2ATRPV1CNR2
SCHEMBL2054766 0.81 NPC1 (0.41) SLC6A9PDE2ATRPV1
SCHEMBL5918431 0.75 SLC6A9 (0.35) SLC6A9TRPV1CCR5CNR2
SCHEMBL2054764 0.73 SLC6A9 (0.45) SLC6A9
SCHEMBL2054765 0.72 SLC6A9 (0.48) SLC6A9
SCHEMBL3537221 0.72 SLC6A9 (0.34) SLC6A9TRPV1
SCHEMBL2054774 0.72 RORC (0.32) SLC6A9TRPV1CNR2
SCHEMBL3537225 0.72 SLC6A9 (0.34) SLC6A9TRPV1
SCHEMBL3057467 0.70 LMNA (0.32) TRPV1
SCHEMBL3543136 0.70 CNR2 (0.32) TRPV1CNR2

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 SLC6A9 112/4885PDE2A 2670/4885TRPV1 2260/4885

“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.