SCHEMBL516867

SCHEMBL516867

CC(C)[C@H]1COCCN1C(=O)[C@H]1CC[C@H](N(C(=O)O)C(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL516868 1.00 PIK3CD (0.38) PIK3CDNR1H2NR1H3RECQLPOLB
SCHEMBL517242 0.82 RECQL (0.32) RECQLPOLBHPGDPKMMEN1
SCHEMBL517241 0.82 RECQL (0.32) RECQLPOLBHPGDPKMMEN1
SCHEMBL19666476 0.77 POLB (0.51) RECQLPOLBHPGDPKMMEN1
SCHEMBL516710 0.77 PIK3CD (0.45) PIK3CDNR1H2NR1H3POLBHPGD
SCHEMBL516709 0.77 PIK3CD (0.45) PIK3CDNR1H2NR1H3POLBHPGD
SCHEMBL19465808 0.77 PIK3CD (0.45) PIK3CDNR1H2NR1H3POLBHPGD
SCHEMBL19666475 0.77 POLB (0.51) RECQLPOLBHPGDPKMMEN1
SCHEMBL516711 0.77 PIK3CD (0.45) PIK3CDNR1H2NR1H3POLBHPGD
SCHEMBL19064665 0.77 PIK3CD (0.47) PIK3CDRECQLPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 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-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY PIK3CD 1474/4885NR1H2 638/4885NR1H3 601/4885

“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.