SCHEMBL4894298

SCHEMBL4894298

O=C(O)C1CS[C@H](c2cc[n+]([O-])cc2)N1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.49
▸ RAB9A P51151 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ FFAR2 O15552 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ ACE P12821 2/20 0.38
▸ PREP P48147 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL3831329 0.90 HSD17B10 (0.59) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3831328 0.90 HSD17B10 (0.59) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3828037 0.84 HSD17B10 (0.51) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3828033 0.84 HSD17B10 (0.51) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3832317 0.84 HSD17B10 (0.51) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3225960 0.84 HSD17B10 (0.51) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3826090 0.83 GAA (0.66) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3826091 0.83 GAA (0.66) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3829921 0.83 POLB (0.51) HSD17B10RAB9AGAAPOLBHTR2C
SCHEMBL3829924 0.83 POLB (0.51) HSD17B10RAB9AGAAPOLBHTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080181866-A1 Amido Anti-viral Compounds GENELABS TECHNOLOGIES, INC. 2008-07-31 — — US 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 4331/4885RAB9A 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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