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Sugi Predict / Compounds / SCHEMBL7145328

SCHEMBL7145328

SCHEMBL7145328

O=C(O)CC(NC(=O)CNC(=O)c1nc(NC(=O)NCc2ccccc2)sc1-c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.59
▸ ITGAV P06756 6/20 0.59
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ ITGA2B P08514 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LCK P06239 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ ITGB6 P18564 1/20 0.39
▸ CTSA P10619 2/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ HIPK4 Q8NE63 1/20 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
SCHEMBL7139106 0.89 ITGB3 (0.47) ITGB3ITGAVROCK2ROCK1MEN1
SCHEMBL7140143 0.88 ITGB3 (0.55) ITGB3ITGAVROCK2ROCK1ITGA2B
SCHEMBL7137554 0.85 ITGB3 (0.49) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7661542 0.81 ITGB3 (0.58) ITGB3ITGAVROCK2ROCK1ITGA2B
SCHEMBL28746913 0.80 ITGB3 (0.66) ITGB3ITGAVROCK2ROCK1ITGA2B
SCHEMBL7140086 0.79 MEN1 (0.46) ITGB3ITGAVROCK2ROCK1MEN1
SCHEMBL7143982 0.79 ITGB3 (0.46) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7144851 0.79 ITGB3 (0.46) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL27490978 0.77 ITGB1 (0.42) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7138733 0.77 MMP3 (0.52) ROCK2ROCK1LCKMMP3SCD

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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 — — CN 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 7/4885ITGAV 109/4885ROCK2 180/4885

“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.