SCHEMBL7605044

SCHEMBL7605044

NC(=S)c1cc([C@H]2CC[C@@H](CO)O2)n2ncnc(N)c12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 11/20 0.39
▸ NPC1 O15118 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ CSNK2A2 P19784 5/20 0.33
▸ CSNK2A1 P68400 5/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TNK2 Q07912 1/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL10105829 0.89 ACVRL1 (0.39) ACVRL1CSNK2A2CSNK2A1PIK3CD
SCHEMBL10105828 0.87 ACVRL1 (0.39) ACVRL1CSNK2A2CSNK2A1TNK2PIK3CD
SCHEMBL14642544 0.83 ACVRL1 (0.41) ACVRL1CSNK2A2CSNK2A1CYP2A6TNK2
SCHEMBL26944060 0.83 ACVRL1 (0.43) ACVRL1CYP2A6TNK2PIK3CD
SCHEMBL7605058 0.83 ACVRL1 (0.44) ACVRL1PIK3CD
SCHEMBL7602181 0.80 PIK3CD (0.42) ACVRL1PIK3CD
SCHEMBL7602186 0.80 ACVRL1 (0.36) ACVRL1NPC1GALR3S1PR4ALDH1A1
SCHEMBL7602863 0.77 ACVRL1 (0.43) ACVRL1PIK3CD
SCHEMBL14642736 0.76 ACVRL1 (0.45) ACVRL1PIK3CD
SCHEMBL26195756 0.76 CYP2A6 (0.37) ACVRL1ALDH1A1CYP2A6TNK2PIK3CD

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-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 — — 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-20120122811-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD ACVRL1 4215/4885NPC1 1041/4885GALR3 4629/4885

“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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