SCHEMBL3826249

SCHEMBL3826249

COc1cccc(C2SCC(C(=O)O)N2C(=O)OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ FFAR2 O15552 4/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTR2C P28335 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ BCL9 O00512 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ FABP7 O15540 1/20 0.40
▸ FABP5 Q01469 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
SCHEMBL3826252 1.00 POLB (0.51) POLBGAARAB9AHTTFFAR2
SCHEMBL3826091 0.89 GAA (0.66) POLBGAARAB9AHTTFFAR2
SCHEMBL3826090 0.89 GAA (0.66) POLBGAARAB9AHTTFFAR2
SCHEMBL3831329 0.87 HSD17B10 (0.59) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL3831328 0.87 HSD17B10 (0.59) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL3827512 0.86 FFAR2 (0.46) POLBGAARAB9AHTTFFAR2
SCHEMBL3827517 0.86 FFAR2 (0.46) POLBGAARAB9AHTTFFAR2
SCHEMBL3830704 0.85 HSD17B10 (0.48) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL3830702 0.85 HSD17B10 (0.48) POLBGAARAB9AFFAR2HSD17B10
SCHEMBL3832317 0.84 HSD17B10 (0.51) POLBGAARAB9AHTTFFAR2

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 1374/4885GAA 773/4885RAB9A 702/4885

“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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