SCHEMBL517241

SCHEMBL517241

CC(C)(C)N(C(=O)O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@H]2C2CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CNR2 P34972 2/20 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
SCHEMBL517242 1.00 RECQL (0.32) RECQLPOLBHPGDPKMTSHR
SCHEMBL516867 0.82 PIK3CD (0.38) RECQLPOLBHPGDPKMMEN1
SCHEMBL516868 0.82 PIK3CD (0.38) RECQLPOLBHPGDPKMMEN1
SCHEMBL19666475 0.78 POLB (0.51) RECQLPOLBHPGDPKMTSHR
SCHEMBL19666476 0.78 POLB (0.51) RECQLPOLBHPGDPKMTSHR
SCHEMBL1908625 0.78 MAPT (0.40) RECQLPOLBHPGDPKMTSHR
SCHEMBL19465724 0.75 TSHR (0.34) POLBHPGDPKMTSHRSMN1; SMN2
SCHEMBL1908622 0.75 TSHR (0.34) POLBHPGDPKMTSHRSMN1; SMN2
SCHEMBL19063336 0.75 TSHR (0.43) RECQLHPGDTSHRSMN1; SMN2CNR2
SCHEMBL19065051 0.75 TSHR (0.43) RECQLHPGDTSHRSMN1; SMN2CNR2

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 RECQL 2744/4885POLB 1792/4885HPGD 526/4885

“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.