SCHEMBL3829924

SCHEMBL3829924

CC(=O)c1ccc([C@H]2SCC(C(=O)O)N2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ FFAR2 O15552 6/20 0.48
▸ HTR2C P28335 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL3829921 1.00 POLB (0.51) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3831328 0.90 HSD17B10 (0.59) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3831329 0.90 HSD17B10 (0.59) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3832394 0.89 MEN1 (0.52) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3832389 0.89 MEN1 (0.52) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3826091 0.87 GAA (0.66) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3826090 0.87 GAA (0.66) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3828037 0.87 HSD17B10 (0.51) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3828033 0.87 HSD17B10 (0.51) POLBRAB9AGAAHSD17B10FFAR2
SCHEMBL3225960 0.84 HSD17B10 (0.51) POLBRAB9AGAAHSD17B10FFAR2

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
EP-2099778-A2 AMIDO ANTI-VIRAL COMPOUNDS Smithkline Beecham Corporation (US) 2009-09-16 — — EP disclosed
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 — — US disclosed
WO-2008064218-A2 AMIDO ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-29 — — 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-20080181866-A1 Amido Anti-viral Compounds ZC3HAV1, U2SURP, ZC3HAV1L POLB 1374/4885RAB9A 702/4885GAA 773/4885

“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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