SCHEMBL3831257

SCHEMBL3831257

O=C(O)C1CSC(c2cncnc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ HTR2C P28335 1/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PREP P48147 2/20 0.41
▸ FFAR2 O15552 2/20 0.40
▸ ACE P12821 2/20 0.39
▸ GRIN2B Q13224 1/20 0.38

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
SCHEMBL3831258 1.00 HSD17B10 (0.47) HSD17B10HTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL3829823 0.89 HSD17B10 (0.48) HSD17B10HTR2CGAAFFAR2GRIN2B
SCHEMBL3830117 0.89 HSD17B10 (0.48) HSD17B10HTR2CGAAFFAR2GRIN2B
SCHEMBL3826029 0.89 HSD17B10 (0.48) HSD17B10HTR2CGAAFFAR2GRIN2B
SCHEMBL3831329 0.88 HSD17B10 (0.59) HSD17B10HTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL3831328 0.88 HSD17B10 (0.59) HSD17B10HTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL3832317 0.88 HSD17B10 (0.51) HSD17B10HTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL3225960 0.88 HSD17B10 (0.51) HSD17B10HTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL3828037 0.83 HSD17B10 (0.51) HSD17B10HTR2CRAB9ANPC1SMN1; SMN2
SCHEMBL3828033 0.83 HSD17B10 (0.51) HSD17B10HTR2CRAB9ANPC1SMN1; 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 HSD17B10 4331/4885HTR2C 3911/4885RAB9A 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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