SCHEMBL13101189

SCHEMBL13101189

CC(C)(C)OC(=O)N1C(c2ccccc2)SC[C@H]1C(=O)I

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ FFAR2 O15552 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RIPK1 Q13546 1/20 0.40
▸ RORC P51449 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ HTRA1 Q92743 1/20 0.37
▸ BCHE P06276 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
SCHEMBL13091697 1.00 ABCB1 (0.44) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL13091656 0.90 HSD17B10 (0.54) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL6185805 0.90 HSD17B10 (0.54) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL14024616 0.90 HSD17B10 (0.54) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL3072035 0.90 HSD17B10 (0.54) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL14024615 0.88 HSD17B10 (0.42) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL16775110 0.83 ABCB1 (0.46) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL13101308 0.80 ABCB1 (0.46) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL3075753 0.80 ABCB1 (0.46) ABCB1HSD17B10FFAR2POLBMEN1
SCHEMBL3075751 0.80 ABCB1 (0.46) ABCB1HSD17B10FFAR2POLBMEN1

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-20100266675-A1 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-21 — — 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-20100266675-A1 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM LIPG, VEGFA, LIPE ABCB1 1494/4885HSD17B10 1842/4885FFAR2 1040/4885

“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.

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