SCHEMBL4399790

SCHEMBL4399790

N[C@@H](CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 1.00
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
DNMT1 P26358 1/20 0.46

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
SCHEMBL27590560 1.00 KIF11 (1.00) KIF11ALPIPKMPTGS1XIAP
SCHEMBL27608746 0.88 KIF11 (0.78) KIF11
SCHEMBL4397129 0.88 KIF11 (0.78) KIF11
SCHEMBL29053899 0.81 KIF11 (0.68) KIF11ALPIPKMPTGS1XIAP
SCHEMBL29053902 0.81 KIF11 (0.68) KIF11ALPIPKMPTGS1XIAP
SCHEMBL8175287 0.78 KIF11 (0.63) KIF11
SCHEMBL8346825 0.75 KIF11 (0.60) KIF11DNMT1
SCHEMBL8170449 0.75 KIF11 (0.61) KIF11
SCHEMBL8659896 0.74 KIF11 (0.58) KIF11
SCHEMBL4469967 0.74 KIF11 (0.61) KIF11DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632951-B2 Inhibitors of integrin ανβ6 MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-12-15 US disclosed
EP-1377540-B1 INHIBITORS OF INTEGRIN ALPHA-V-BETA-6 MERCK PATENT GMBH (DE) 2008-12-03 EP disclosed
CN-1582271-A Inhibitors of integrin alpha v beta 6 MERCK PATENT GMBH (DE) 2005-02-16 CN disclosed
US-20040092454-A1 Inhibitors of integrin alphavbeta6 MERCK PATENT GMBH (DE) 2004-05-13 US disclosed
EP-1377540-A1 INHIBITORS OF INTEGRIN AvB6 MERCK PATENT GmbH (DE) 2004-01-07 EP disclosed
WO-2002074730-A1 INHIBITORS OF INTEGRIN αvβ¿6? MERCK PATENT GMBH (DE) 2002-09-26 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-20040092454-A1 Inhibitors of integrin alphavbeta6 ITGB6, ITGB1, ITGA1 KIF11 4238/4885ALPI 1356/4885PKM 4435/4885

“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.