SCHEMBL6179718

SCHEMBL6179718

C=CC(CC(=O)O)Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
LDHA P00338 1/20 0.37
MAOB P27338 4/20 0.37
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB6 P18564 1/20 0.35
PKM P14618 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
ACACB O00763 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6178682 0.80 CPA1 (0.55) LDHAMMP1MMP2MMP3MMP9
SCHEMBL6179722 0.77 PPARD (0.34) PPARAPOLB
SCHEMBL15033738 0.75 POLB (0.46) POLB
SCHEMBL6180881 0.75 SLC7A5 (0.47) FFAR1
SCHEMBL10600082 0.75 CPA3 (0.55) PKMMMP2MMP9
SCHEMBL7806170 0.71 KMT2A (0.46) LDHAMAOBPPARAPPARGPOLB
SCHEMBL2101723 0.69 POLB (0.62) PKMPOLB
SCHEMBL1915816 0.69 LDHA (0.58) FFAR1LDHAPKMMMP1MMP2
SCHEMBL6179860 0.69 SMN1; SMN2 (0.36) LDHAACACBPOLB
SCHEMBL3105485 0.68 LTA4H (0.44) PPARAPPARGPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR FFAR1 151/4885LDHA 3911/4885MAOB 2823/4885

“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.