SCHEMBL21795366

SCHEMBL21795366

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.61
▸ HBB P68871 1/20 0.61
▸ PNP P00491 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ SLC29A1 Q99808 5/20 0.52
▸ ADRB1 P08588 1/20 0.52
▸ DNMT1 P26358 1/20 0.52
▸ HIF1A Q16665 1/20 0.51
▸ PIM1 P11309 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ CSNK2A3 Q8NEV1 1/20 0.47

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
SCHEMBL21795365 1.00 CYP1A2 (0.61) CYP1A2HBBPNPLMNATP53
SCHEMBL21795545 0.92 SLC29A1 (0.58) CYP1A2HBBPNPLMNATP53
SCHEMBL21795548 0.92 SLC29A1 (0.58) CYP1A2HBBPNPLMNATP53
SCHEMBL21795393 0.92 SLC29A1 (0.58) CYP1A2HBBPNPLMNATP53
SCHEMBL9346554 0.89 PNP (0.65) CYP1A2HBBPNPLMNATP53
SCHEMBL9346544 0.89 PNP (0.65) CYP1A2HBBPNPLMNATP53
SCHEMBL21795432 0.87 CYP1A2 (0.64) CYP1A2HBBPNPLMNATP53
SCHEMBL21795436 0.87 CYP1A2 (0.64) CYP1A2HBBPNPLMNATP53
SCHEMBL21795433 0.87 CYP1A2 (0.64) CYP1A2HBBPNPLMNATP53
SCHEMBL14156815 0.87 CYP1A2 (0.65) CYP1A2HBBPNPLMNATP53

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 CYP1A2 1935/4885HBB 3201/4885PNP 125/4885
US-20210130356-A1 6-DITHIO-SUBSTITUTED-2'-DEOXYGUANOSINE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TXNRD1, TXN, TXN2 CYP1A2 1915/4885HBB 3190/4885PNP 133/4885

“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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