SCHEMBL2898260

SCHEMBL2898260

COc1ccc(C(CC(O)C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.60
KCNH2 Q12809 1/20 0.50
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LDHA P00338 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL7147740 0.84 KIF11 (0.61) KIF11KCNH2MEN1KMT2A
SCHEMBL25713808 0.79 KIF11 (0.51) KIF11KCNH2PPARGPPARALDHA
SCHEMBL19652449 0.79 KIF11 (0.58) KIF11KCNH2MEN1KMT2A
SCHEMBL13247304 0.78 KIF11 (0.74) KIF11
SCHEMBL18053873 0.77 KIF11 (0.52) KIF11KCNH2MEN1KMT2ANPC1
SCHEMBL8457734 0.76 KIF11 (0.54) KIF11KCNH2PPARGPPARALDHA
SCHEMBL2686112 0.76 KIF11 (0.64) KIF11KCNH2L3MBTL1
SCHEMBL8592606 0.75 KIF11 (0.60) KIF11KCNH2CES2CES1KMT2A
SCHEMBL5838167 0.75 KIF11 (0.60) KIF11KCNH2CES2CES1KMT2A
SCHEMBL7541631 0.75 KIF11 (0.68) KIF11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781488-B2 convergent assembly of a plurality of pairs of oligopeptides; stable C-terminal disulfide-protected carboxythioester group that can be deprotected to spontaneously generate a free C-terminal thioester; allows a single precursor to participate in a succession of chemical ligation reactions AMYLIN PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
EP-1529056-B1 POST-CLEAVAGE SULFUR DEPROTECTION FOR CONVERGENT PROTEIN SYNTHESIS BY CHEMICAL LIGATION AMYLIN PHARMACEUTICALS INC (US) 2010-02-24 EP disclosed
US-20070059792-A1 convergent assembly of a plurality of pairs of oligopeptides; stable C-terminal disulfide-protected carboxythioester group that can be deprotected to spontaneously generate a free C-terminal thioester; allows a single precursor to participate in a succession of chemical ligation reactions ASTRAZENECA PHARMACEUTICALS LP 2007-03-15 US 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-20070059792-A1 convergent assembly of a plurality of pairs of oligopeptides; stable C-terminal disulfide-protected carboxythioester group that can be deprotected to spontaneously generate a free C-terminal thioester; allows a single precursor to participate in a succession of chemical ligation reactions NPEPPS, PCTP, PTMS KIF11 3258/4885KCNH2 4547/4885PPARG 4746/4885

“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.