SCHEMBL5858036

SCHEMBL5858036

C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)[C@@H](O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.45
IDH1 O75874 9/20 0.44
NAMPT P43490 2/20 0.42
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM1 P11229 1/20 0.39
NR3C2 P08235 1/20 0.37
SLC1A2 P43004 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3746780 0.83 IL6ST (0.47) IL6STIDH1PPARA
SCHEMBL3754521 0.83 IL6ST (0.47) IL6STIDH1PPARA
SCHEMBL3754520 0.83 IL6ST (0.47) IL6STIDH1PPARA
SCHEMBL3753534 0.82 IL6ST (0.45) IL6STIDH1PPARA
SCHEMBL3753536 0.82 IL6ST (0.45) IL6STIDH1PPARA
SCHEMBL5500159 0.82 IL6ST (0.54) IL6STIDH1PPARA
SCHEMBL5386718 0.81 IL6ST (0.46) IL6STIDH1PPARAKDM4EMEN1
SCHEMBL5386720 0.81 IL6ST (0.46) IL6STIDH1PPARAKDM4EMEN1
SCHEMBL15925290 0.81 IL6ST (0.50) IL6STIDH1PPARA
SCHEMBL15925296 0.81 IL6ST (0.50) IL6STIDH1PPARA

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 IL6ST 1869/4885IDH1 2582/4885NAMPT 1894/4885

“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.