SCHEMBL16869844

SCHEMBL16869844

C=CC[C@@H]1C[C@H]1OC(=O)N[C@H](C(=O)OC)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
METAP2 P50579 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL16819025 0.88 CNR2 (0.31) CNR2
SCHEMBL16819024 0.88 CNR2 (0.31) CNR2
SCHEMBL1260916 0.88 CNR1 (0.32) CNR1CNR2METAP2
SCHEMBL2171477 0.85 ALDH1A1 (0.32) CNR1CNR2
SCHEMBL7945504 0.85 ALDH1A1 (0.32) CNR1CNR2
SCHEMBL2172887 0.85 ALDH1A1 (0.32) CNR1CNR2
SCHEMBL19263184 0.85 ALDH1A1 (0.32) CNR1CNR2
SCHEMBL20751965 0.80 CNR2 (0.32) CNR2
SCHEMBL19174733 0.80 MAPT (0.34)
SCHEMBL19375705 0.79 MAPT (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
US-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2017-07-27 US disclosed
WO-2015100145-A1 SYNTHESIS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES, INC. (US) 2015-07-02 WO 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 (2 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-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 CNR1 3932/4885CNR2 4655/4885METAP2 1260/4885
US-10030033-B2 Synthesis of an antiviral compound EIF2AK2, MAVS, SARS1 CNR1 3932/4885CNR2 4655/4885METAP2 1260/4885

“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.