SCHEMBL21795545

SCHEMBL21795545

CCC(C)SSc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ HBB P68871 1/20 0.58
▸ PNP P00491 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PDE3A Q14432 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ ADRB1 P08588 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ HIF1A Q16665 1/20 0.48
▸ PIM1 P11309 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ CSNK2A3 Q8NEV1 1/20 0.45

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
SCHEMBL21795393 1.00 SLC29A1 (0.58) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL21795548 1.00 SLC29A1 (0.58) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL21795366 0.92 CYP1A2 (0.61) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL21795365 0.92 CYP1A2 (0.61) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL9346544 0.86 PNP (0.65) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL9346554 0.86 PNP (0.65) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL21795436 0.85 CYP1A2 (0.64) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL21795433 0.85 CYP1A2 (0.64) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL21795432 0.85 CYP1A2 (0.64) SLC29A1CYP1A2HBBPNPLMNA
SCHEMBL14156815 0.85 CYP1A2 (0.65) SLC29A1CYP1A2HBBPNPLMNA

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
US-11247994-B2 6-dithio-substituted-2′-deoxyguanosine compound, preparation method thereof and use thereof ZHEJIANG UNIVERSITY (CN) 2022-02-15 — — US disclosed
US-20210130356-A1 6-DITHIO-SUBSTITUTED-2'-DEOXYGUANOSINE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF ZHEJIANG UNIVERSITY (CN) 2021-05-06 — — US disclosed
WO-2020042729-A1 6-DISULFIDE-SUBSTITUTED-2'-DEOXYGUANOSINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江大学 2020-03-05 — — 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 (2 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-11247994-B2 6-dithio-substituted-2′-deoxyguanosine compound, preparation method thereof and use thereof TXNRD1, TXN, TXN2 SLC29A1 115/4885CYP1A2 1935/4885HBB 3201/4885
US-20210130356-A1 6-DITHIO-SUBSTITUTED-2'-DEOXYGUANOSINE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TXNRD1, TXN, TXN2 SLC29A1 115/4885CYP1A2 1915/4885HBB 3190/4885

“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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