SCHEMBL116302

SCHEMBL116302

CC(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CTRB1 P17538 2/20 0.45
CTSL P07711 6/20 0.43
CTSS P25774 4/20 0.43
CTSB P07858 2/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CTSK P43235 5/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39

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
SCHEMBL5724195 0.90 SYK (0.52) SYKCTRB1CTSLCTSSCTSB
SCHEMBL263992 0.89 SYK (0.47) SYKCTRB1CTSLCTSSCTSB
SCHEMBL144786 0.89 SYK (0.51) SYKCTRB1CTSLCTSSCTSB
SCHEMBL5724348 0.87 SYK (0.57) SYKCTRB1CTSLCTSSCTSB
SCHEMBL5724356 0.87 SYK (0.49) SYKCTRB1CTSLCTSSCTSB
SCHEMBL19300692 0.86 ATM (0.43) SYKCTSLCTSSCTSBATM
SCHEMBL261847 0.86 SYK (0.48) SYKCTRB1CTSLCTSSCTSB
SCHEMBL29654501 0.86 CTRB1 (0.59) SYKCTRB1CTSLCTSSCTSB
SCHEMBL19285812 0.86 ATM (0.43) SYKCTSLCTSSCTSBATM
SCHEMBL19285609 0.86 CYP3A4 (0.33) CTRB1ALDH1A1

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 4291/4885CTRB1 163/4885CTSL 1109/4885

“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.