SCHEMBL12420355

SCHEMBL12420355

CC(=O)C[C@H](N)C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRIK1 P39086 3/20 0.34
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
GRIK2 Q13002 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL10037286 0.81 GRIK1 (0.34) ALDH1A1GRIK1CPT2CPT1AGRIK2
SCHEMBL26778046 0.81 GRIK1 (0.34) ALDH1A1GRIK1CPT2CPT1AGRIK2
SCHEMBL18116107 0.81 GRIK1 (0.38) ALDH1A1TDP1GRIK1GRIK2MAPT
SCHEMBL12420389 0.81 GRIK1 (0.38) ALDH1A1TDP1GRIK1GRIK2MAPT
SCHEMBL10037299 0.81 GRIK1 (0.34) ALDH1A1GRIK1CPT2CPT1AGRIK2
SCHEMBL26754222 0.81 GRIK1 (0.34) ALDH1A1GRIK1CPT2CPT1AGRIK2
SCHEMBL15745571 0.80 SLC1A1 (0.34) ALDH1A1GRIK1MAPTPTGS1SLC7A5
SCHEMBL17085295 0.80 SLC1A1 (0.34) ALDH1A1GRIK1MAPTPTGS1SLC7A5
SCHEMBL17789294 0.80 SLC1A1 (0.34) ALDH1A1GRIK1MAPTPTGS1SLC7A5
SCHEMBL16602077 0.77 GRIK1 (0.39) ALDH1A1GRIK1GRIK2MAPTPTGS1

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-20110172193-A1 PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID JANSSEN PHARMACEUTICA NV (BE) 2011-07-14 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-20110172193-A1 PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID ARFGAP1, ABCC1, FPR1 ALDH1A1 335/4885TDP1 3566/4885GRIK1 976/4885

“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.