SCHEMBL7140073

SCHEMBL7140073

CCOC(=O)CCNC(=O)[C@H](C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TERT O14746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
REN P00797 1/20 0.36
TOP2A P11388 1/20 0.36
ECE1 P42892 1/20 0.36
CAPN9 O14815 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 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
SCHEMBL7396618 0.86 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10085314 0.85 GAA (0.46) CYP1A2GAAMGAMSIMGAM2
SCHEMBL7358388 0.85 CYP1A2 (0.41) CYP1A2GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL7396617 0.85 CYP1A2 (0.41) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5494766 0.83 ANPEP (0.41) CYP1A2GAAMGAMSIMGAM2
SCHEMBL25826934 0.83 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL25827289 0.83 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL25827282 0.83 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5494763 0.83 ANPEP (0.41) CYP1A2GAAMGAMSIMGAM2
SCHEMBL19709868 0.81 GAA (0.50) CYP1A2GAAMGAMSIMGAM2

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
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-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 4389/4885GAA 4036/4885MGAM 1836/4885

“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.