SCHEMBL10101520

SCHEMBL10101520

C[C@@H]1[C@@H](CO)O[C@@H](c2cc(C(N)=S)c3c(N)ncnn23)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ ACVRL1 P37023 3/20 0.33
▸ ADORA2A P29274 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ PI4KA P42356 1/20 0.30
▸ PI4K2B Q8TCG2 1/20 0.30
▸ PI4K2A Q9BTU6 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL10101521 0.90 NPC1 (0.35) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL10101508 0.90 PIK3CD (0.37) ACVRL1PIK3CDCSNK2A2CSNK2A1
SCHEMBL10101518 0.89 NPC1 (0.35) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL10101516 0.88 CSNK2A2 (0.34) ACVRL1ADORA2APIK3CDCSNK2A2CSNK2A1
SCHEMBL646007 0.86 ADORA2A (0.41) NPC1GALR3S1PR4ALDH1A1MAPT
SCHEMBL10101503 0.85 PIK3CD (0.38) ACVRL1PIK3CD
SCHEMBL10101487 0.85 ACVRL1 (0.35) ACVRL1ADORA2APIK3CDPI4KAPI4K2B
SCHEMBL10101497 0.85 ACVRL1 (0.38) ACVRL1PIK3CD
SCHEMBL10101530 0.82 ACVRL1 (0.33) ACVRL1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10101546 0.82 ADK (0.36) ACVRL1ADORA2APIK3CDPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119607-B2 Bicyclic nucleosides and nucleotides as therapeutic agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-21 — — US disclosed
US-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT (AU) 2010-02-11 — — 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-20100035836-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD NPC1 1041/4885GALR3 4629/4885S1PR4 1853/4885

“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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