SCHEMBL143609

SCHEMBL143609

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.53
HTT P42858 1/20 0.49
FOLH1 Q04609 2/20 0.48
SYK P43405 1/20 0.46
TACR1 P25103 1/20 0.45
MME P08473 1/20 0.45
ECE1 P42892 1/20 0.45
CASP1 P29466 2/20 0.45
CTSL P07711 4/20 0.44
CTSS P25774 4/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
ATM Q13315 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
SCHEMBL116476 0.90 CTRB1 (0.51) CTRB1SYKTACR1CTSLCTSS
SCHEMBL142588 0.85 SYK (0.55) CTRB1SYKCTSLCTSSCTSB
SCHEMBL16336595 0.84 SYK (0.59) CTRB1SYKTACR1CTSLCTSS
SCHEMBL5198016 0.84 CTRB1 (0.58) CTRB1HTTFOLH1SYKTACR1
SCHEMBL1606000 0.84 CTRB1 (0.58) CTRB1HTTFOLH1SYKTACR1
SCHEMBL27577300 0.84 CTRB1 (0.58) CTRB1HTTFOLH1SYKMME
SCHEMBL1605999 0.84 CTRB1 (0.58) CTRB1HTTFOLH1SYKTACR1
SCHEMBL10947433 0.83 CTRB1 (0.57) CTRB1HTTFOLH1SYKTACR1
SCHEMBL10945132 0.83 CTRB1 (0.57) CTRB1HTTFOLH1SYKTACR1
SCHEMBL10947445 0.83 CTRB1 (0.57) CTRB1HTTFOLH1SYKTACR1

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 163/4885HTT 4667/4885FOLH1 3519/4885

“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.