SCHEMBL23819118

SCHEMBL23819118

CO[C@@](C#N)(CCc1ccc2c(N)ncnn12)COP(=O)(N[C@@H](C)C(=O)OCCCN1CCOCC1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ GLA P06280 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BTN3A1 O00481 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ EPHX2 P34913 3/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ MAP2K1 Q02750 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RET P07949 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 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
SCHEMBL26340618 0.91 BTN3A1 (0.35) KDM4EGLANPSR1BTN3A1GAA
SCHEMBL23818983 0.87 BTN3A1 (0.33) BTN3A1
SCHEMBL23818980 0.83 BTN3A1 (0.33) BTN3A1
SCHEMBL23818994 0.83 BTN3A1 (0.30) BTN3A1
SCHEMBL23818629 0.82 BTN3A1 (0.31) BTN3A1
SCHEMBL26293173 0.82 BTN3A1 (0.32) BTN3A1
SCHEMBL26340245 0.82 BTN3A1 (0.33) KDM4EGLANPSR1BTN3A1GAA
SCHEMBL26341746 0.81 BTN3A1 (0.36) BTN3A1
SCHEMBL23818560 0.80 RET (0.33) EPHX2HRH3MAP2K1RET
SCHEMBL23844052 0.79 BTN3A1 (0.36) BTN3A1

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 KDM4E 3679/4885GLA 3512/4885NPSR1 1383/4885

“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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