SCHEMBL2381395

SCHEMBL2381395

COC(=O)C1C=C(C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.42
NR1H2 P55055 3/20 0.40
NR1H3 Q13133 1/20 0.40
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
KMT2A Q03164 2/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34
BRD4 O60885 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
SCHEMBL2381393 1.00 PTPN1 (0.42) PTPN1NR1H2NR1H3PDE4BLMNA
SCHEMBL31239015 0.91 MAPK1 (0.38) PTPN1NR1H2NR1H3LMNANPSR1
SCHEMBL24645524 0.85 PTPN1 (0.42) PTPN1NR1H2NR1H3PDE4BLMNA
SCHEMBL18435493 0.85 PTPN1 (0.42) PTPN1NR1H2NR1H3PDE4BLMNA
SCHEMBL18400274 0.85 PTPN1 (0.42) PTPN1NR1H2NR1H3PDE4BLMNA
SCHEMBL12295992 0.85 NPC1 (0.36) PTPN1NR1H2LMNANPSR1CYP1A2
SCHEMBL2379580 0.85 HSD17B10 (0.38) PTPN1NR1H2LMNANPSR1CYP1A2
SCHEMBL2379577 0.85 HSD17B10 (0.38) PTPN1NR1H2LMNANPSR1CYP1A2
SCHEMBL27017483 0.84 PTPN1 (0.41) PTPN1NR1H2NR1H3PDE4BLMNA
SCHEMBL2381284 0.83 PTPN1 (0.41) PTPN1NR1H2NR1H3PDE4BLMNA

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-8729077-B2 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC (US) 2014-05-20 US disclosed
US-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
EP-2580209-A2 INHIBITORS OF HCV NS5A PROTEIN Presidio Pharmaceuticals, Inc. (US) 2013-04-17 EP disclosed
WO-2011156543-A2 INHIBITORS OF HCV NS5A PROTEIN PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-15 WO disclosed
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-09-15 US disclosed
WO-2010062821-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-06-03 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-20130310427-A1 INHIBITORS OF HCV NS5A PROTEIN HAVCR2, EIF2AK2, PPP2CA PTPN1 190/4885NR1H2 2005/4885NR1H3 2074/4885
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, MAVS PTPN1 2134/4885NR1H2 1821/4885NR1H3 1230/4885

“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.