SCHEMBL5496105

SCHEMBL5496105

CC(=O)NCCS.CCCCC(O)C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.37
ABCB1 P08183 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 1/20 0.35
CA2 P00918 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FOLH1 Q04609 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
ADRA1A P35348 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MME P08473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL5502978 0.96 ABCB1 (0.41) PAOXABCB1ZDHHC7GPR84FFAR1
SCHEMBL4817591 0.91 PAOX (0.35) PAOXZDHHC7MAPK1KDM4EHIF1A
SCHEMBL5500614 0.91 PAOX (0.35) PAOXZDHHC7MAPK1KDM4EHIF1A
SCHEMBL5884046 0.84 KDM4E (0.35) PAOXMAPK1KDM4EHIF1ASMN1; SMN2
SCHEMBL5494606 0.84 MTNR1A (0.34) MAPK1KDM4EHIF1ASMN1; SMN2FOLH1
SCHEMBL5499259 0.84 MTNR1A (0.34) PAOXMAPK1KDM4EHIF1ASMN1; SMN2
SCHEMBL5499942 0.84 MTNR1A (0.34) MAPK1KDM4EHIF1ASMN1; SMN2FOLH1
SCHEMBL5495937 0.81 MTNR1A (0.33) MAPK1KDM4EHIF1ASMN1; SMN2FOLH1
SCHEMBL7805104 0.80 CA2 (0.50) ABCB1MAPK1CA2GPR84FFAR1
SCHEMBL13747871 0.80 CA2 (0.50) ABCB1MAPK1CA2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PAOX 144/4885ABCB1 2767/4885ZDHHC7 85/4885

“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.