SCHEMBL140566

SCHEMBL140566

CC(C)(C)OC(=O)NC[C@]1(Cc2ccccc2)[C@H](NC(=O)OCc2ccccc2)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
HTT P42858 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CPB1 P15086 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL141502 0.84 ALDH1A1 (0.49) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL141505 0.77 SYK (0.45) SYKALDH1A1GAATSHRCTSL
SCHEMBL17228339 0.77 ALDH1A1 (0.44) SYKALDH1A1GAATSHRCTSL
SCHEMBL144613 0.76 P2RX7 (0.41) ALDH1A1GAATSHRKMT2A
SCHEMBL12492759 0.75 SYK (0.48) SYKALDH1A1GAATSHRKMT2A
SCHEMBL25696800 0.74 ALDH1A1 (0.55) SYKALDH1A1GAATSHRCTSL
SCHEMBL4367160 0.73 STS (0.48) ALDH1A1GAAKMT2AL3MBTL1HTT
SCHEMBL30440711 0.72 KMT2A (0.51) SYKALDH1A1GAATSHRCTSL
SCHEMBL3944460 0.72 ALDH1A1 (0.69) SYKALDH1A1GAATSHRCTSL
SCHEMBL6153463 0.72 ALDH1A1 (0.69) SYKALDH1A1GAATSHRCTSL

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 SYK 4291/4885ALDH1A1 1678/4885GAA 938/4885

“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.