SCHEMBL25012545

SCHEMBL25012545

CCC(C)(C)CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1CCC(C#N)(c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.33
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL25012565 0.93 BTN3A1 (0.34) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL24148708 0.89 CYP3A4 (0.32) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL18636608 0.89 CYP3A4 (0.32) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL24149678 0.87 DOT1L (0.31) —
SCHEMBL24148988 0.86 TMPRSS2 (0.39) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL25012893 0.86 BTN3A1 (0.32) BTN3A1
SCHEMBL25013589 0.85 BTN3A1 (0.31) BTN3A1
SCHEMBL24149496 0.83 CYP3A4 (0.37) BTN3A1CYP3A4CYP2C9RIPK1
SCHEMBL25012912 0.83 CSNK1A1 (0.31) —
SCHEMBL25012629 0.83 CYP3A4 (0.33) BTN3A1CYP3A4CYP2C9

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-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. 2023-02-09 — — 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-20230040586-A1 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF TYMP, PNP, DUT BTN3A1 3427/4885CYP3A4 1932/4885CYP2C9 2637/4885

“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.

Send feedback