SCHEMBL3826090

SCHEMBL3826090

COc1ccc(C2SCC(C(=O)O)N2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.66
▸ POLB P06746 2/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.52
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ FFAR2 O15552 3/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTR2C P28335 1/20 0.46
▸ KCNA5 P22460 1/20 0.45
▸ FABP7 O15540 1/20 0.45
▸ FABP5 Q01469 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP13 P45452 1/20 0.43

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
SCHEMBL3826091 1.00 GAA (0.66) GAAPOLBRAB9AALDH1A1TSHR
SCHEMBL3831328 0.90 HSD17B10 (0.59) GAAPOLBRAB9ASMN1; SMN2HSD17B10
SCHEMBL3831329 0.90 HSD17B10 (0.59) GAAPOLBRAB9ASMN1; SMN2HSD17B10
SCHEMBL3826252 0.89 POLB (0.51) GAAPOLBRAB9AALDH1A1HSD17B10
SCHEMBL3826249 0.89 POLB (0.51) GAAPOLBRAB9AALDH1A1HSD17B10
SCHEMBL3832389 0.87 MEN1 (0.52) GAAPOLBRAB9AALDH1A1SMN1; SMN2
SCHEMBL3832394 0.87 MEN1 (0.52) GAAPOLBRAB9AALDH1A1SMN1; SMN2
SCHEMBL3829924 0.87 POLB (0.51) GAAPOLBRAB9AALDH1A1SMN1; SMN2
SCHEMBL3829921 0.87 POLB (0.51) GAAPOLBRAB9AALDH1A1SMN1; SMN2
SCHEMBL3828037 0.87 HSD17B10 (0.51) GAAPOLBRAB9AALDH1A1SMN1; SMN2

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 GAA 773/4885POLB 1374/4885RAB9A 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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