SCHEMBL7312664

SCHEMBL7312664

CCOC(=O)CC(CCCNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
F2 P00734 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 3/20 0.43
IDO1 P14902 1/20 0.43
F10 P00742 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CTSK P43235 4/20 0.42
SYK P43405 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
CTSS P25774 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
MMP1 P03956 1/20 0.40

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
SCHEMBL7305117 0.97 F2 (0.47) MEN1KMT2AGAAF2CYP3A4
SCHEMBL1673778 0.89 KMT2A (0.45) MEN1KMT2AGAAF2ALDH1A1
SCHEMBL7146704 0.87 MEN1 (0.56) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL7146701 0.87 MEN1 (0.56) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL7136733 0.83 MEN1 (0.51) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL7136737 0.83 MEN1 (0.51) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL9705884 0.82 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C19ALDH1A1CTSK
SCHEMBL6107001 0.81 NPSR1 (0.43) MEN1KMT2AGAACYP3A4NPSR1
SCHEMBL6491658 0.79 MEN1 (0.61) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL6500581 0.79 MEN1 (0.61) MEN1KMT2AGAANPSR1ALDH1A1

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 MEN1 681/4885KMT2A 4510/4885GAA 4036/4885

“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.