SCHEMBL3244398

SCHEMBL3244398

CCC(C)(C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1)N(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.55
CTSK P43235 6/20 0.54
SLC6A9 P48067 10/20 0.52
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
P2RX7 Q99572 1/20 0.41

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
SCHEMBL3244597 0.92 CTSS (0.55) CTSSCTSKSLC6A9CTSVCTSL
SCHEMBL3904027 0.87 CTSS (0.56) CTSSCTSKSLC6A9CTSVCTSL
SCHEMBL3239756 0.85 CTSS (0.48) CTSSCTSKSLC6A9CTSVCTSL
SCHEMBL3243956 0.82 SLC6A9 (0.58) CTSSCTSKSLC6A9CTSVCTSL
SCHEMBL3238355 0.81 SLC6A9 (0.42) SLC6A9
SCHEMBL3238600 0.79 UTS2R (0.46) CTSSCTSVCTSL
SCHEMBL3238677 0.79 SLC6A9 (0.62) CTSSCTSKSLC6A9P2RX7
SCHEMBL3234846 0.78 SLC6A9 (0.61) CTSSCTSKSLC6A9P2RX7
SCHEMBL3231177 0.77 KLRK1 (0.41)
SCHEMBL13970179 0.76 CTSS (0.53) CTSSCTSKSLC6A9CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 CTSS 2250/4885CTSK 2569/4885SLC6A9 13/4885

“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.