SCHEMBL3832317

SCHEMBL3832317

O=C(O)C1CS[C@H](c2ccncc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ FFAR2 O15552 3/20 0.45
▸ HTR2C P28335 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ PREP P48147 1/20 0.40
▸ HTT P42858 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
SCHEMBL3225960 1.00 HSD17B10 (0.51) HSD17B10POLBRAB9AGAAFFAR2
SCHEMBL3831329 0.92 HSD17B10 (0.59) HSD17B10POLBRAB9AGAAFFAR2
SCHEMBL3831328 0.92 HSD17B10 (0.59) HSD17B10POLBRAB9AGAAFFAR2
SCHEMBL3829823 0.88 HSD17B10 (0.48) HSD17B10GAAFFAR2HTR2CCYP2D6
SCHEMBL3826029 0.88 HSD17B10 (0.48) HSD17B10GAAFFAR2HTR2CCYP2D6
SCHEMBL3830117 0.88 HSD17B10 (0.48) HSD17B10GAAFFAR2HTR2CCYP2D6
SCHEMBL3831257 0.88 HSD17B10 (0.47) HSD17B10POLBRAB9AGAAFFAR2
SCHEMBL3831258 0.88 HSD17B10 (0.47) HSD17B10POLBRAB9AGAAFFAR2
SCHEMBL3829599 0.87 POLB (0.47) HSD17B10POLBHTR2CCYP2D6CYP2C9
SCHEMBL14111685 0.87 POLB (0.47) HSD17B10POLBHTR2CCYP2D6CYP2C9

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 HSD17B10 4331/4885POLB 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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