SCHEMBL26294375

SCHEMBL26294375

CCCCCCCCCCCCCCCCOCCCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1CC[C@H](c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34
▸ RIPK1 Q13546 3/20 0.32
▸ BTN3A1 O00481 4/20 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
SCHEMBL23047641 0.91 CYP3A4 (0.37) CYP3A4CYP2C9RIPK1BTN3A1
SCHEMBL26293675 0.90 BTN3A1 (0.34) CYP3A4CYP2C9DOT1LBTN3A1
SCHEMBL25584428 0.89 CYP3A4 (0.39) CYP3A4CYP2C9DOT1LBTN3A1
SCHEMBL22393557 0.88 CYP3A4 (0.36) CYP3A4CYP2C9DOT1LRIPK1BTN3A1
SCHEMBL22355553 0.88 CYP3A4 (0.36) CYP3A4CYP2C9DOT1LRIPK1BTN3A1
SCHEMBL22393430 0.87 CYP3A4 (0.44) CYP3A4CYP2C9DOT1LRIPK1BTN3A1
SCHEMBL22393558 0.87 CYP3A4 (0.44) CYP3A4CYP2C9DOT1LRIPK1BTN3A1
SCHEMBL22392915 0.87 BTN3A1 (0.37) CYP3A4CYP2C9DOT1LRIPK1BTN3A1
SCHEMBL24058364 0.85 CYP3A4 (0.36) CYP3A4CYP2C9DOT1LRIPK1BTN3A1
SCHEMBL25584089 0.85 CYP3A4 (0.39) CYP3A4CYP2C9DOT1L

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-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 — — 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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 CYP3A4 435/4885CYP2C9 1982/4885DOT1L 3143/4885

“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