SCHEMBL7138490

SCHEMBL7138490

CC(C)(C)OC(=O)CCNC(=O)c1cccc(NC(=O)c2csc(NC(=N)N)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
PAX8 Q06710 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
CLK1 P49759 2/20 0.37

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
SCHEMBL7146685 0.86 NR1H4 (0.41) L3MBTL1GAAPOLBMAPTHTT
SCHEMBL8062317 0.86 CLK1 (0.43) L3MBTL1GAAMAPTNR1H4PAX8
SCHEMBL7138480 0.85 CCKBR (0.40) GAAHDAC3HDAC1HDAC2HDAC10
SCHEMBL7144080 0.85 KDR (0.47) L3MBTL1MAPTHTTNR1H4PAX8
SCHEMBL7145262 0.84 KIFC1 (0.49) POLBMAPTHTTCYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL7145403 0.83 NR1H4 (0.45) GAAPOLBMAPTHTTNR1H4
SCHEMBL7453096 0.77 LMNA (0.48) GAAHDAC3HDAC1HDAC2HDAC10
SCHEMBL7145097 0.74 ITGB3 (0.47) L3MBTL1GAAMAPTHTTSMN1; SMN2
SCHEMBL7140557 0.73 ITGB3 (0.58) CLK1CLK4DYRK3CLK2DYRK1A
SCHEMBL7140555 0.73 ITGB3 (0.58) CLK1CLK4DYRK3CLK2DYRK1A

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-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 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 L3MBTL1 1072/4885GAA 4036/4885HDAC3 1672/4885

“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.