SCHEMBL7315678

SCHEMBL7315678

CC(C)(C)OC(=O)C(NC(=O)[C@@H](N)CC(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
LTA4H P09960 3/20 0.43
SCN9A Q15858 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
MAPT P10636 4/20 0.40
MAPK14 Q16539 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL7315666 1.00 CTSS (0.48) CTSSCTSKLTA4HSCN9AGPR88
SCHEMBL28181400 0.84 CTRB1 (0.50) CTSSCTSKGPR88MAPTMEN1
SCHEMBL12864509 0.81 CTSS (0.51) CTSSCTSKGPR88MAPTMEN1
SCHEMBL31181302 0.81 NAALAD2 (0.49) LTA4H
SCHEMBL7096621 0.80 MMP1 (0.54) CTSSCTSKMAPTALDH1A1RECQL
SCHEMBL10076059 0.80 CTSK (0.50) CTSSCTSKGPR88MAPTMEN1
SCHEMBL30715283 0.80 CTSK (0.50) CTSSCTSKGPR88MAPTMEN1
SCHEMBL13101947 0.78 GPR88 (0.47) CTSSCTSKGPR88
SCHEMBL18435386 0.78 CTSK (0.64) CTSSCTSKSCN9AMAPTMEN1
SCHEMBL4811522 0.77 CTSS (0.50) CTSSCTSKMAPTMEN1ALDH1A1

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-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 CTSS 2952/4885CTSK 2742/4885LTA4H 2748/4885

“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.