SCHEMBL11229697

SCHEMBL11229697

C=C(NC(=O)C(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL15080636 0.91
SCHEMBL6188463 0.83 TP53 (0.39) MEN1KMT2A
SCHEMBL11309108 0.81 SLC15A1 (0.41)
SCHEMBL9400688 0.81 ATM (0.39) ALDH1A1
SCHEMBL15274732 0.80
SCHEMBL15080637 0.78 TDP1 (0.38)
SCHEMBL2775 0.74 GAA (0.37) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL2608298 0.74
SCHEMBL29342177 0.74 CETP (0.32) GAAALDH1A1
SCHEMBL11304900 0.73 SLC7A5 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137548-A1 POLYMER COMPOUND FOR MEDICAL USE AND COMPOSITION AND DEVICE USING SAME NATIONAL UNIVERSITY CORPORATION YAMAGATA UNIVERSIT Y (JP) 2017-05-18 US disclosed
EP-3124507-A1 POLYMER COMPOUND FOR MEDICAL USE AND COMPOSITION AND DEVICE USING SAME National University Corporation Yamagata University (JP) 2017-02-01 EP disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-20090186830-A1 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2009-07-23 US disclosed
US-4356324-A CHIRAL LIGANDS FOR RHODIUM HYDROGENATION CATALYSTS DEGUSSA AKTIENGESELLSCHAFT, A GERMAN CORP. (DE) 1982-10-26 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 (2 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC GAA 557/4885ALDH1A1 3067/4885MEN1 1032/4885
US-20090186830-A1 MACROCYCLES AND THEIR USES CYP11B2, OAT, CYP27A1 GAA 232/4885ALDH1A1 877/4885MEN1 947/4885

“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.