SCHEMBL5496917

SCHEMBL5496917

C/C=C/C(=O)n1c(=O)oc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
ASAH1 Q13510 12/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5496920 1.00 IDO1 (0.56) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL11622609 0.82 IDO1 (0.57) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL11622612 0.82 IDO1 (0.57) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL7525629 0.78 IDO1 (0.65) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL13556262 0.77 IDO1 (0.46) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL4565881 0.76 IDO1 (0.72) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL14624091 0.75 IDO1 (0.65) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL1589800 0.75 SMN1; SMN2 (0.54) ALDH1A1MAPTHSD17B10HPGDMAPK1
SCHEMBL6810615 0.75 IDO1 (0.49) IDO1ASAH1ALDH1A1MAPTHSD17B10
SCHEMBL6810618 0.75 IDO1 (0.49) IDO1ASAH1ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351849-B2 Process for producing optically active β-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-01 US disclosed
US-7351849-B2 Process for producing optically active β-amino acid derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-01 US disclosed
EP-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP disclosed
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
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO 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 3584/4885ASAH1 1660/4885ALDH1A1 2800/4885

“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.