SCHEMBL143201

SCHEMBL143201

COC=C[C@@]1(C(C)(C)C)C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
NAMPT P43490 1/20 0.35
KMT2A Q03164 3/20 0.35
ACACB O00763 6/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
ACACA Q13085 3/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HCRTR2 O43614 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL140484 1.00 DRD2 (0.37) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL147125 0.86 DRD2 (0.40) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL146904 0.86 DRD2 (0.40) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL141440 0.86 DRD2 (0.40) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL142693 0.77 DRD2 (0.41) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL141254 0.77 DRD2 (0.41) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL144373 0.76 DRD2 (0.39) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL142444 0.76 DRD2 (0.39) DRD2NAMPTKMT2AACACBCKS1B
SCHEMBL144799 0.76 DRD2 (0.35) DRD2KMT2AACACBCKS1BSKP1
SCHEMBL142209 0.73 DRD2 (0.39) DRD2NAMPTKMT2AACACBCKS1B

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 DRD2 198/4885NAMPT 3516/4885KMT2A 4780/4885

“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.