SCHEMBL7140607

SCHEMBL7140607

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.44
ITGA2B P08514 2/20 0.44
ITGAV P06756 3/20 0.40
HIF1A Q16665 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
EPHX2 P34913 2/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
HPGDS O60760 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAD52 P43351 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.35

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 0.81 ITGB3 (0.48) ITGB3ITGA2BHIF1AEPHX2GABBR2
SCHEMBL7140611 0.81 ITGB3 (0.48) ITGB3ITGA2BHIF1AEPHX2GABBR2
SCHEMBL7136643 0.80 ITGB3 (0.49) ITGB3ITGA2BITGAVHIF1AATP4A
SCHEMBL7138642 0.78 ITGB3 (0.47) ITGB3ITGA2BITGAVATP4AATP4B
Hydrochloric Acid SCHEMBL7141532 0.77 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7141230 0.76 ROCK2 (0.48) ITGB3ITGA2BITGAVHIF1ARAD52
SCHEMBL7141236 0.76 ROCK2 (0.48) ITGB3ITGA2BITGAVHIF1ARAD52
Ethyl Acetate SCHEMBL7305366 0.74 ITGB3 (0.43) ITGB3ITGA2BITGAVHIF1ALMNA
SCHEMBL7145110 0.71 F2 (0.46) ITGB3ITGA2BHIF1ALMNAHDAC6
SCHEMBL7140552 0.70 ITGB3 (0.53) ITGB3ITGA2BITGAVLMNASMN1; SMN2

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.