SCHEMBL7145345

SCHEMBL7145345

COCCOC(=O)c1cc(NC(=O)OCc2ccccc2)ccc1OCCOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.45
BLK P51451 1/20 0.45
BTK Q06187 1/20 0.45
ENPP2 Q13822 2/20 0.45
ROCK2 O75116 1/20 0.44
S1PR1 P21453 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LRRK2 Q5S007 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7140575 0.91 MGLL (0.51) MGLLNPSR1TP53NPC1RAB9A
SCHEMBL7147789 0.81 CASP3 (0.44) MGLLTP53NPC1RAB9ATSHR
SCHEMBL27531629 0.81 KCNA5 (0.44) MGLLNPSR1TP53NPC1RAB9A
SCHEMBL5864056 0.81 MGLL (0.52) MGLLTP53NPC1RAB9ATSHR
SCHEMBL6880261 0.80 ABCB1 (0.49) MGLLTP53NPC1RAB9ATSHR
SCHEMBL25550054 0.77 CYP2C9 (0.52) NPSR1NPC1RAB9ATSHRMAPT
SCHEMBL9865773 0.77 MEN1 (0.47) MGLLTP53NPC1RAB9ATSHR
SCHEMBL22808210 0.76 SMN1; SMN2 (0.63) MGLLTP53NPC1RAB9ATSHR
SCHEMBL5863964 0.76 P2RX3 (0.49) MGLLTP53NPC1RAB9ATSHR
SCHEMBL7321919 0.76 EGFR (0.57) MGLLTP53NPC1RAB9ATSHR

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 MGLL 4327/4885NPSR1 2234/4885TP53 525/4885

“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.