SCHEMBL10101515

SCHEMBL10101515

CC1(C)[C@H](F)[C@@H](CO)O[C@H]1c1cc(C(=O)O)c2c(N)ncnn12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 8/20 0.33
▸ CSNK2A2 P19784 6/20 0.32
▸ CSNK2A1 P68400 6/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ RIPK1 Q13546 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ PIK3CD O00329 2/20 0.31

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
SCHEMBL10101511 0.92 PIK3CD (0.35) ACVRL1CSNK2A2CSNK2A1RIPK1PIK3CD
SCHEMBL13519791 0.91 ADORA2A (0.34) ACVRL1CSNK2A2CSNK2A1TNK2PIK3CD
SCHEMBL10101516 0.89 CSNK2A2 (0.34) ACVRL1CSNK2A2CSNK2A1TNK2NTRK1
SCHEMBL10101518 0.88 NPC1 (0.35) ACVRL1
SCHEMBL10101500 0.86 ACVRL1 (0.38) ACVRL1PIK3CD
SCHEMBL10101517 0.85 CSNK2A2 (0.33) ACVRL1CSNK2A2CSNK2A1TNK2NTRK1
SCHEMBL647116 0.85 ADORA2A (0.41) ACVRL1CSNK2A2CSNK2A1TNK2NTRK1
SCHEMBL13519808 0.85 ADORA2A (0.41) ACVRL1CSNK2A2CSNK2A1TNK2NTRK1
SCHEMBL10101505 0.85 PIK3CD (0.37) ACVRL1PIK3CD
SCHEMBL10101492 0.85 ACVRL1 (0.34) ACVRL1PIK3CD

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 ACVRL1 4215/4885CSNK2A2 4716/4885CSNK2A1 4695/4885

“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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