SCHEMBL7141440

SCHEMBL7141440

CCOC(=O)CC(CCCCNC(=O)c1sc(NC(=O)NCc2ccccc2)nc1C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.54
SCD O00767 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CSNK1D P48730 3/20 0.44
KIFC1 Q9BW19 1/20 0.42
PPID Q08752 1/20 0.42

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
SCHEMBL7137170 0.90 LCK (0.58) LCKSCDALDH1A1LMNANPC1
SCHEMBL7137175 0.90 LCK (0.58) LCKSCDALDH1A1LMNANPC1
SCHEMBL7147848 0.86 ALDH1A1 (0.53) SCDALDH1A1LMNAKDM4ENPSR1
SCHEMBL7145285 0.84 RAB9A (0.43) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL7147748 0.77 NPC1 (0.69) LCKALDH1A1LMNAKDM4ENPSR1
SCHEMBL7140676 0.76 ITGB3 (0.51) LCKSCDALDH1A1LMNAKDM4E
SCHEMBL7140672 0.76 ITGB3 (0.51) LCKSCDALDH1A1LMNAKDM4E
SCHEMBL7144868 0.74 LCK (0.70) LCKSCDALDH1A1NPC1RAB9A
SCHEMBL7144479 0.74 ALDH1A1 (0.39) SCDALDH1A1LMNAKDM4ENPSR1
SCHEMBL7144477 0.74 ALDH1A1 (0.39) SCDALDH1A1LMNAKDM4ENPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 LCK 1715/4885SCD 3453/4885ALDH1A1 1400/4885

“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.