SCHEMBL7138653

SCHEMBL7138653

N=C(N)Nc1nc(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.52
ITGA2B P08514 10/20 0.52
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ITGAV P06756 2/20 0.44
CTSA P10619 5/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB5 P18084 1/20 0.42
ITGB6 P18564 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
Hydrochloric Acid SCHEMBL7141539 0.99 ITGB3 (0.51) ITGB3ITGA2BLMNASMN1; SMN2ADORA2A
SCHEMBL7136652 0.91 ITGB3 (0.54) ITGB3ITGA2BLMNASMN1; SMN2ADORA2A
SCHEMBL7141461 0.91 ITGB3 (0.54) ITGB3ITGA2BADORA2AADORA1ITGAV
SCHEMBL7138669 0.91 ITGB3 (0.54) ITGB3ITGA2BADORA2AADORA1ITGAV
SCHEMBL7141536 0.88 SMN1; SMN2 (0.46) ITGB3ITGA2BLMNASMN1; SMN2ADORA2A
SCHEMBL7136785 0.86 ITGB3 (0.50) ITGB3ITGA2BSMN1; SMN2ITGAVCTSA
SCHEMBL7144243 0.86 MEN1 (0.46) ITGB3ITGA2BLMNASMN1; SMN2ADORA2A
Hydrochloric Acid SCHEMBL7136531 0.85 ITGB3 (0.49) ITGB3ITGA2BSMN1; SMN2ITGAVCTSA
SCHEMBL7661542 0.84 ITGB3 (0.58) ITGB3ITGA2BLMNASMN1; SMN2ADORA2A
SCHEMBL7144797 0.84 ITGB3 (0.48) ITGB3ITGA2BLMNASMN1; SMN2ITGAV

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
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 106/4885LMNA 3184/4885

“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.