SCHEMBL7310694

SCHEMBL7310694

CCOC(=O)CC(NC(=O)c1cc(N)ccc1OCCOC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
THRB P10828 3/20 0.43
POLB P06746 2/20 0.43
TACR3 P29371 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CNR2 P34972 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
SCHEMBL7136584 0.89 CYP26A1 (0.47) TAS1R3TAS1R1POLBTACR3KMT2A
SCHEMBL7136575 0.89 CYP26A1 (0.47) TAS1R3TAS1R1POLBTACR3KMT2A
SCHEMBL7140639 0.76 MAPT (0.41) NPC1THRBPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL7147673 0.76 ROCK2 (0.47) F2F10ITGB3ITGA2B
SCHEMBL7299127 0.76 TAS1R3 (0.57) NPC1TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL7335381 0.75 ALDH1A1 (0.49) NPC1THRBPOLBTACR3ALDH1A1
SCHEMBL7190225 0.75 ROCK2 (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1672276 0.75 CYP1A2 (0.46) NPC1POLBALDH1A1MEN1KMT2A
SCHEMBL7332779 0.74 ALDH1A1 (0.44) NPC1THRBPOLBTACR3ALDH1A1
SCHEMBL7334670 0.72 TACR3 (0.44) NPC1THRBPOLBTACR3ALDH1A1

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
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN 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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN 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 NPC1 987/4885TAS1R3 403/4885TAS1R1 415/4885

“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.