SCHEMBL7140552

SCHEMBL7140552

NC(N)=Nc1nc(C(=O)Nc2cccc(C(=O)NC(CC(=O)O)c3ccccc3)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.53
ITGA2B P08514 6/20 0.53
ITGAV P06756 10/20 0.50
ITGA2 P17301 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
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
CTSA P10619 2/20 0.41
ROCK2 O75116 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41

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
SCHEMBL7140555 0.85 ITGB3 (0.58) ITGB3ITGA2BITGAVITGA2MMP3
SCHEMBL7140557 0.85 ITGB3 (0.58) ITGB3ITGA2BITGAVITGA2MMP3
SCHEMBL7143332 0.82 ITGB3 (0.51) ITGB3ITGA2BITGAVITGA2PRSS1
SCHEMBL7138642 0.79 ITGB3 (0.47) ITGB3ITGA2BITGAVPRSS1PRSS2
Hydrochloric Acid SCHEMBL7141532 0.79 ITGB3 (0.47) ITGB3ITGA2BITGAVPRSS1PRSS2
SCHEMBL7136643 0.78 ITGB3 (0.49) ITGB3ITGA2BITGAVPRSS1PRSS2
SCHEMBL7145097 0.75 ITGB3 (0.47) ITGB3ITGA2BROCK2MEN1LMNA
SCHEMBL7146957 0.72 ITGB3 (0.55) ITGB3ITGA2BITGA2MEN1LMNA
SCHEMBL7138480 0.72 CCKBR (0.40) ITGB3ITGA2BITGAVMEN1MAPT
SCHEMBL7143340 0.71 ITGB3 (0.55) ITGB3ITGA2BITGAVITGA2MMP3

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 ITGB3 7/4885ITGA2B 106/4885ITGAV 109/4885

“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.