SCHEMBL7138331

SCHEMBL7138331

CCOC(=O)CC(CC(=O)CN)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CPB2 Q96IY4 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 6/20 0.39
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 2/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL8719366 0.86 MGAM (0.52) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL7314608 0.81 ALDH1A1 (0.52) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL15899439 0.79 CPB2 (0.49) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL3426953 0.79 KMT2A (0.44) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL28071880 0.79 KMT2A (0.49) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL6868422 0.78 MGAM (0.48) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL9203447 0.78 MGAM (0.48) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL15899446 0.76 CPB2 (0.58) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL9055012 0.76 MGAM (0.46) CYP1A2KMT2AMEN1NPC1CPB2
SCHEMBL272456 0.75 MGAM (0.44) CYP1A2KMT2AMEN1NPC1CPB2

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
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
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 CYP1A2 4389/4885KMT2A 4510/4885MEN1 681/4885

“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.