SCHEMBL12272899

SCHEMBL12272899

COCCN(CCOC)c1ccc2c(c1)SC1=C(C=CC(=O)C1)N2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.33
▸ IDH1 O75874 1/20 0.32

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
SCHEMBL12273537 0.90 CASP3 (0.34) CASP3IDH1
SCHEMBL12273545 0.85 MEN1 (0.35) —
SCHEMBL12988479 0.84 KDM4E (0.34) —
SCHEMBL3112042 0.81 MAPT (0.36) —
SCHEMBL12812986 0.78 SNCA (0.47) CASP3IDH1
SCHEMBL12273200 0.78 IDH1 (0.31) CASP3IDH1
SCHEMBL10591060 0.77 SNCA (0.55) —
SCHEMBL10591086 0.76 NOX1 (0.50) —
SCHEMBL10591877 0.75 EPHX2 (0.48) —
SCHEMBL16061005 0.73 NOX1 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699241-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-07-27 — — EP disclosed
US-8828986-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-09-09 — — US disclosed
US-8809317-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-08-19 — — US disclosed
US-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 — — US disclosed
EP-2699241-A1 ANTIVIRAL COMPOUNDS Prosetta Antiviral Inc. (US) 2014-02-26 — — EP disclosed
US-20120302556-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-11-29 — — US disclosed
WO-2012145567-A1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC. (US) 2012-10-26 — — WO disclosed
US-20120270854-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-10-25 — — US disclosed
WO-2012135402-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2012-10-04 — — WO disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 — — US disclosed
WO-2012125983-A1 ANTIVIRAL TREATMENTS PROSETTA ANTIVIRAL INC. (US) 2012-09-20 — — 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 (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-20120238543-A1 Antiviral Compounds MAVS, EIF2AK2, IRF3 CASP3 188/4885IDH1 333/4885
US-20120270854-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 CASP3 193/4885IDH1 1101/4885
US-20120302556-A1 Antiviral Compounds HAVCR2, MAVS, EIF2AK2 CASP3 193/4885IDH1 1101/4885

“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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