SCHEMBL23818841

SCHEMBL23818841

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.35
▸ RIPK1 Q13546 4/20 0.33
▸ DOT1L Q8TEK3 1/20 0.32
▸ BTN3A1 O00481 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL23819071 0.94 BTN3A1 (0.38) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL26296396 0.93 BTN3A1 (0.39) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL23818778 0.92 POLRMT (0.33) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL23818553 0.92 POLRMT (0.33) POLRMTRIPK1DOT1LBTN3A1CYP3A4
SCHEMBL23818784 0.92 BTN3A1 (0.40) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL23818858 0.91 POLRMT (0.33) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL23818488 0.91 POLRMT (0.33) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL23818847 0.91 POLRMT (0.33) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL23819183 0.91 POLRMT (0.33) POLRMTRIPK1BTN3A1CYP3A4CYP2C9
SCHEMBL23819246 0.91 POLRMT (0.33) POLRMTRIPK1BTN3A1CYP3A4CYP2C9

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-20210284670-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-16 — — 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-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 POLRMT 535/4885RIPK1 666/4885DOT1L 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