SCHEMBL22492948

SCHEMBL22492948

CCCCCCCCCCCCCCCCSSC(CCC)[PH](=O)COC(C)Cn1cnc2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.55
▸ CYP2D6 P10635 13/20 0.53
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL22492954 0.94 CYP3A4 (0.56) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492961 0.91 CYP3A4 (0.57) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492944 0.91 CYP3A4 (0.57) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492965 0.91 CYP3A4 (0.57) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22577390 0.87 CYP3A4 (0.57) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492952 0.84 CYP3A4 (0.58) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492941 0.84 CYP3A4 (0.58) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492962 0.84 CYP3A4 (0.58) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492946 0.84 CYP3A4 (0.58) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1
SCHEMBL22492959 0.84 CYP3A4 (0.58) CYP3A4CYP2D6ADORA2AADORA1ALDH1A1

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-11389463-B2 Antiviral nucleoside reverse transcriptase inhibitor SHENZHEN TARGETRX, INC. (CN) 2022-07-19 — — US disclosed
US-20210093650-A1 NOVEL ANTIVIRAL NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR SHENZHEN TARGETRX, INC. (CN) 2021-04-01 — — US disclosed
EP-3719027-A1 NOVEL ANTIVIRAL NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR Shenzhen TargetRx, Inc. (CN) 2020-10-07 — — EP 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-20210093650-A1 NOVEL ANTIVIRAL NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR HPRT1, NUDT1, TYMP CYP3A4 375/4885CYP2D6 196/4885ADORA2A 2358/4885
US-11389463-B2 Antiviral nucleoside reverse transcriptase inhibitor HPRT1, TYMP, NUDT1 CYP3A4 375/4885CYP2D6 180/4885ADORA2A 2115/4885

“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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