SCHEMBL7140611

SCHEMBL7140611

N=C(N)Nc1nc(C(=O)NCCCC(CC(=O)O)c2ccccc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
RAD52 P43351 1/20 0.43
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.38
LMNA P02545 3/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
EPHX2 P34913 1/20 0.38
HPGDS O60760 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL7140617 1.00 ITGB3 (0.48) ITGB3ITGA2BRAD52GAASMN1; SMN2
SCHEMBL7145110 0.88 F2 (0.46) ITGB3ITGA2BRAD52GAASMN1; SMN2
SCHEMBL7141236 0.85 ROCK2 (0.48) ITGB3ITGA2BRAD52GAASMN1; SMN2
SCHEMBL7141230 0.85 ROCK2 (0.48) ITGB3ITGA2BRAD52GAASMN1; SMN2
SCHEMBL27492748 0.84 HIF1A (0.45) ITGB3ITGA2BRAD52GAASMN1; SMN2
SCHEMBL7136652 0.82 ITGB3 (0.54) ITGB3ITGA2BGAASMN1; SMN2LMNA
SCHEMBL7140607 0.81 ITGB3 (0.44) ITGB3ITGA2BRAD52SMN1; SMN2HTT
SCHEMBL7140676 0.80 ITGB3 (0.51) ITGB3ITGA2BGAASMN1; SMN2HTT
SCHEMBL7140672 0.80 ITGB3 (0.51) ITGB3ITGA2BGAASMN1; SMN2HTT
SCHEMBL7138653 0.79 ITGB3 (0.52) ITGB3ITGA2BSMN1; SMN2LMNA

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 8 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
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 ITGB3 7/4885ITGA2B 106/4885RAD52 3624/4885

“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.