SCHEMBL3072035

SCHEMBL3072035

CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)SC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ FFAR2 O15552 5/20 0.53
▸ ABCB1 P08183 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RIPK1 Q13546 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL14024616 1.00 HSD17B10 (0.54) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL13091656 1.00 HSD17B10 (0.54) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL6185805 1.00 HSD17B10 (0.54) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL13091697 0.90 ABCB1 (0.44) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL13101189 0.90 ABCB1 (0.44) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL5713194 0.88 GAA (0.72) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL3826056 0.87 KDM4E (0.46) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL8870492 0.87 KDM4E (0.46) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL9250150 0.87 KDM4E (0.46) HSD17B10POLBGAARAB9AFFAR2
SCHEMBL3827938 0.87 KDM4E (0.46) HSD17B10POLBGAARAB9AFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045401-B2 Methods for treating or ameliorating a melanoma and killing melanoma cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-02 — — US disclosed
US-9045401-B2 Methods for treating or ameliorating a melanoma and killing melanoma cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-02 — — US disclosed
US-9045401-B2 Methods for treating or ameliorating a melanoma and killing melanoma cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-06-02 — — US disclosed
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
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
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
WO-2008144747-A2 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-27 — — 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-20100266675-A1 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM LIPG, VEGFA, LIPE HSD17B10 1842/4885POLB 4371/4885GAA 1720/4885

“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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