SCHEMBL2054769

SCHEMBL2054769

O=C(NC(c1ccc(S(=O)(=O)CC2CC2)cc1)C1CCOCC1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.49
P2RX7 Q99572 9/20 0.48
CTSS P25774 3/20 0.45
CTSK P43235 2/20 0.43

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
SCHEMBL2054782 0.90 SLC6A9 (0.53) SLC6A9P2RX7CTSSCTSK
SCHEMBL2054765 0.89 SLC6A9 (0.48) SLC6A9P2RX7CTSSCTSK
SCHEMBL10234211 0.85 SLC6A9 (0.66) SLC6A9P2RX7CTSSCTSK
SCHEMBL2056353 0.83 SLC6A9 (0.70) SLC6A9P2RX7CTSSCTSK
SCHEMBL10233695 0.83 SLC6A9 (0.70) SLC6A9P2RX7CTSSCTSK
SCHEMBL2056422 0.83 SLC6A9 (0.70) SLC6A9P2RX7CTSSCTSK
SCHEMBL2056431 0.83 SLC6A9 (0.70) SLC6A9P2RX7CTSSCTSK
SCHEMBL2056369 0.82 SLC6A9 (0.75) SLC6A9P2RX7CTSSCTSK
SCHEMBL2056402 0.82 SLC6A9 (0.75) SLC6A9P2RX7CTSSCTSK
SCHEMBL2054785 0.81 SLC6A9 (0.54) SLC6A9P2RX7CTSSCTSK

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 112/4885P2RX7 3458/4885CTSS 2889/4885

“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.