SCHEMBL116476

SCHEMBL116476

C#CC[C@H](CCC(C)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
SYK P43405 1/20 0.46
CTSS P25774 7/20 0.46
CTSL P07711 6/20 0.46
CTSK P43235 4/20 0.46
CTSB P07858 3/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
TACR1 P25103 1/20 0.44

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
SCHEMBL143609 0.90 CTRB1 (0.53) CTRB1SYKCTSSCTSLCTSK
SCHEMBL142588 0.85 SYK (0.55) CTRB1SYKCTSSCTSLCTSK
SCHEMBL116393 0.85 CTRB1 (0.56) CTRB1SYKCTSSCTSLCTSK
SCHEMBL16336595 0.85 SYK (0.59) CTRB1SYKCTSSCTSLCTSK
SCHEMBL10054772 0.79 ALDH1A1 (0.56) CTRB1CTSSCTSLCTSKCTSB
SCHEMBL27626645 0.78 FOLH1 (0.57) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL116479 0.78 FOLH1 (0.57) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL142589 0.78 SYK (0.49) CTRB1SYKCTSSCTSLCTSK
SCHEMBL27646832 0.77 ALDH1A1 (0.60) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL5964588 0.77 ALDH1A1 (0.60) CTSSCTSLCTSKCTSBALDH1A1

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 CTRB1 163/4885SYK 4291/4885CTSS 888/4885

“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.