SCHEMBL13101398

SCHEMBL13101398

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ FFAR2 O15552 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ACE P12821 2/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL13091648 1.00 RIPK1 (0.40) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13101399 0.81 HSD17B10 (0.54) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13091650 0.81 HSD17B10 (0.54) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13091670 0.81 ABCB1 (0.43) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13091641 0.81 ABCB1 (0.43) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13091660 0.81 ABCB1 (0.43) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13091649 0.80 RIPK1 (0.41) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13101400 0.80 RIPK1 (0.41) RIPK1HSD17B10FFAR2POLBALDH1A1
SCHEMBL13101397 0.76 GAA (0.37) FFAR2POLBALDH1A1MEN1KMT2A
SCHEMBL13091645 0.76 GAA (0.37) FFAR2POLBALDH1A1MEN1KMT2A

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 RIPK1 2547/4885HSD17B10 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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