SCHEMBL2096597

SCHEMBL2096597

CC(C)(O)C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccc(SCC2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
SLC6A9 P48067 14/20 0.47
P2RX7 Q99572 1/20 0.46
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 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
SCHEMBL2054717 0.83 P2RX7 (0.50) CTSSCTSKSLC6A9P2RX7CTSV
SCHEMBL3904027 0.70 CTSS (0.56) CTSSCTSKSLC6A9P2RX7CTSV
SCHEMBL3244398 0.69 CTSS (0.55) CTSSCTSKSLC6A9P2RX7CTSV
SCHEMBL3244597 0.69 CTSS (0.55) CTSSCTSKSLC6A9P2RX7CTSV
SCHEMBL3238677 0.69 SLC6A9 (0.62) CTSSCTSKSLC6A9P2RX7
SCHEMBL22924535 0.69 CTSS (0.75) CTSSCTSKSLC6A9P2RX7CTSV
SCHEMBL3244195 0.69 SLC6A9 (0.59) CTSSCTSKSLC6A9P2RX7
SCHEMBL3234846 0.68 SLC6A9 (0.61) CTSSCTSKSLC6A9P2RX7
SCHEMBL3243956 0.68 SLC6A9 (0.58) CTSSCTSKSLC6A9P2RX7CTSV
SCHEMBL10234211 0.66 SLC6A9 (0.66) CTSSCTSKSLC6A9P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP 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

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 CTSS 2889/4885CTSK 3103/4885SLC6A9 112/4885

“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.