SCHEMBL15480266

SCHEMBL15480266

Cc1csc(C#CC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL12444700 0.78 PTPN11 (0.33) PTPN11
SCHEMBL18265829 0.77 PTPN11 (0.33) PTPN11
SCHEMBL14645312 0.70 TDP1 (0.31)
SCHEMBL3159737 0.69 DAO (0.47) DAO
SCHEMBL15883339 0.65 BACE1 (0.38) PTPN11
SCHEMBL13879198 0.65 GRM5 (0.44) PTPN11
SCHEMBL18677558 0.64 FFAR1 (0.43)
SCHEMBL15957593 0.62 L3MBTL1 (0.42) PTPN11
SCHEMBL280067 0.62 ESR1 (0.40) DAO
SCHEMBL9694697 0.61 GRM5 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045462-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8927741-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2015-01-06 US disclosed
US-20140275570-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2014-09-18 US disclosed
US-8759544-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2014-06-24 US disclosed
US-20140051866-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140051867-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2014-02-20 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 (3 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-20140275570-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, SARS1, MAVS DAO 738/4885PTPN11 3995/4885
US-20140051867-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, SARS1, MAVS DAO 738/4885PTPN11 3995/4885
US-20140051866-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, SARS1, MAVS DAO 744/4885PTPN11 3992/4885

“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.