SCHEMBL23818784

SCHEMBL23818784

C[C@H](NP(=O)(OC[C@]1(C#N)CC[C@H](c2ccc3c(N)ncnn23)O1)Oc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.40
▸ TNK2 Q07912 1/20 0.35
▸ POLRMT O00411 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ RIPK1 Q13546 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) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23818553 0.92 POLRMT (0.33) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23818778 0.92 POLRMT (0.33) BTN3A1TNK2POLRMTCYP3A4CYP2C9
SCHEMBL26296396 0.92 BTN3A1 (0.39) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23818841 0.92 POLRMT (0.35) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23818858 0.91 POLRMT (0.33) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23818488 0.91 POLRMT (0.33) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23819183 0.91 POLRMT (0.33) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23818847 0.91 POLRMT (0.33) BTN3A1POLRMTCYP3A4CYP2C9RIPK1
SCHEMBL23818568 0.90 POLRMT (0.32) BTN3A1POLRMTCYP3A4CYP2C9RIPK1

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 BTN3A1 4597/4885TNK2 4420/4885POLRMT 535/4885

“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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