SCHEMBL13091641

SCHEMBL13091641

C=C[C@@H]1CSC(c2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.43
▸ RIPK1 Q13546 2/20 0.40
▸ RORC P51449 2/20 0.38
▸ FFAR2 O15552 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ HTRA1 Q92743 1/20 0.35

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
SCHEMBL13091660 1.00 ABCB1 (0.43) ABCB1RIPK1RORCFFAR2HSD17B10
SCHEMBL13091670 1.00 ABCB1 (0.43) ABCB1RIPK1RORCFFAR2HSD17B10
SCHEMBL3075753 0.89 ABCB1 (0.46) ABCB1RIPK1RORCFFAR2HSD17B10
SCHEMBL3075751 0.89 ABCB1 (0.46) ABCB1RIPK1RORCFFAR2HSD17B10
SCHEMBL13091659 0.89 ABCB1 (0.46) ABCB1RIPK1RORCFFAR2HSD17B10
SCHEMBL13101308 0.89 ABCB1 (0.46) ABCB1RIPK1RORCFFAR2HSD17B10
SCHEMBL16775110 0.82 ABCB1 (0.46) ABCB1RIPK1RORCFFAR2HSD17B10
SCHEMBL14024616 0.81 HSD17B10 (0.54) ABCB1RIPK1FFAR2HSD17B10POLB
SCHEMBL3072035 0.81 HSD17B10 (0.54) ABCB1RIPK1FFAR2HSD17B10POLB
SCHEMBL6185805 0.81 HSD17B10 (0.54) ABCB1RIPK1FFAR2HSD17B10POLB

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 3 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-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

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 1494/4885RIPK1 2547/4885RORC 4744/4885

“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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