SCHEMBL7304322

SCHEMBL7304322

CCOC(=O)CC(NC(=O)CNC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
NPBWR1 P48145 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MCHR1 Q99705 1/20 0.48
CASP1 P29466 1/20 0.48
ALDH1A1 P00352 2/20 0.46
OPRK1 P41145 1/20 0.46
CTSL P07711 3/20 0.46
CTSS P25774 3/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL7137114 0.90 LMNA (0.47) CYP3A4MAPK1HSD17B10TSHRMAPT
SCHEMBL7146161 0.89 MEN1 (0.48) CYP3A4HSD17B10MAPTCASP1CTSL
SCHEMBL6135483 0.88 CASP1 (0.54) CYP3A4HSD17B10TSHRCASP1ALDH1A1
SCHEMBL7146807 0.87 CYP3A4 (0.54) CYP3A4MAPK1TSHRCASP1ALDH1A1
SCHEMBL6690939 0.85 CYP3A4 (0.49) CYP3A4MAPK1TSHRMAPTNPBWR1
SCHEMBL21350185 0.84 SYK (0.44) CYP3A4TSHRMAPTCTSSCTSK
SCHEMBL3834572 0.84 SYK (0.44) CYP3A4TSHRMAPTCTSSCTSK
SCHEMBL10531968 0.81 MAPK1 (0.56) CYP3A4MAPK1HSD17B10TSHRALDH1A1
SCHEMBL8932406 0.80 PPID (0.58) MAPK1HSD17B10MAPTALDH1A1CTSL
SCHEMBL11511869 0.80 PPID (0.58) MAPK1HSD17B10MAPTALDH1A1CTSL

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 CYP3A4 3460/4885MAPK1 481/4885HSD17B10 3025/4885

“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.