SCHEMBL5858043

SCHEMBL5858043

C[C@@H](C(=O)n1c(=O)oc2ccccc21)[C@@H](O)CCCF

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ASAH1 Q13510 10/20 0.42
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5858045 1.00 IDO1 (0.45) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL3868450 0.93 IDO1 (0.47) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL3868453 0.93 IDO1 (0.47) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5500650 0.89 ASAH1 (0.46) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5500655 0.89 ASAH1 (0.46) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5495929 0.88 ASAH1 (0.46) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5495926 0.88 ASAH1 (0.46) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5499636 0.86 ASAH1 (0.48) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5499632 0.86 ASAH1 (0.48) IDO1ALDH1A1MAPTHSD17B10ASAH1
SCHEMBL5500631 0.86 ASAH1 (0.48) IDO1ALDH1A1MAPTHSD17B10ASAH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US disclosed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US disclosed
US-6492562-B1 INVENTION ALSO RELATES TO NOVEL INTERMEDIATES AND THE RESULTING MODIFIED POLYKETIDES AND ANTIBIOTICS. KOSAN BIOSCIENCES, INC. 2002-12-10 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-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer COASY, KARS1, ACOT7 IDO1 3584/4885ALDH1A1 2800/4885MAPT 3953/4885

“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.