SCHEMBL3827938

SCHEMBL3827938

CC(C)(C)OC(=O)N1[C@@H](c2cccnc2)SC[C@H]1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ FFAR2 O15552 1/20 0.42

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
SCHEMBL9250150 1.00 KDM4E (0.46) KDM4EALDH1A1POLBGAARAB9A
SCHEMBL8870492 1.00 KDM4E (0.46) KDM4EALDH1A1POLBGAARAB9A
SCHEMBL3826056 1.00 KDM4E (0.46) KDM4EALDH1A1POLBGAARAB9A
SCHEMBL9264341 0.90 GPR119 (0.42) KDM4EALDH1A1GPR119
SCHEMBL9645053 0.90 GPR119 (0.42) KDM4EALDH1A1GPR119
SCHEMBL9271459 0.89 ALDH1A1 (0.45) KDM4EALDH1A1POLBGPR119
SCHEMBL14024616 0.87 HSD17B10 (0.54) ALDH1A1POLBGAARAB9AHSD17B10
SCHEMBL6185805 0.87 HSD17B10 (0.54) ALDH1A1POLBGAARAB9AHSD17B10
SCHEMBL3072035 0.87 HSD17B10 (0.54) ALDH1A1POLBGAARAB9AHSD17B10
SCHEMBL13091656 0.87 HSD17B10 (0.54) ALDH1A1POLBGAARAB9AHSD17B10

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 KDM4E 2989/4885ALDH1A1 4630/4885POLB 1374/4885

“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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