SCHEMBL2594032

SCHEMBL2594032

COCCN(CCOC)c1ccc2c(c1)Sc1cc(N3CCN(C(=O)OC(C)(C)C)CC3)cc(C(F)(F)F)c1N2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ ALK Q9UM73 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ MET P08581 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SUV39H2 Q9H5I1 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
SCHEMBL2594780 0.86 PDK2 (0.46) PDK2GPR119ALKSMN1; SMN2MAPT
SCHEMBL2587116 0.85 BCHE (0.38) BCHEMEN1KMT2A
SCHEMBL2585068 0.77 SIRT6 (0.41) PDK2GPR119ALKMAPTALDH1A1
SCHEMBL15948180 0.76 PDK2 (0.36) PDK2GPR119SMN1; SMN2MAPTLMNA
SCHEMBL9933040 0.74 BCHE (0.40) PDK2GPR119ALKBCHE
SCHEMBL17698408 0.73 POLB (0.33) GPR119SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL2592963 0.72 LGMN (0.38) PDK2GPR119BCHEEPHX2
SCHEMBL15875811 0.71 PDK2 (0.38) PDK2GPR119SMN1; SMN2MAPTLMNA
SCHEMBL13386253 0.71 BACE1 (0.41) PDK2GPR119MAPTLMNAALDH1A1
SCHEMBL13386281 0.70 PIK3CA (0.41) PDK2GPR119SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585073-B1 ANTIVIRAL COMPOUNDS PROSETTA ANTIVIRAL INC (US) 2016-04-27 — — EP disclosed
US-8785434-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-07-22 — — US disclosed
EP-2585073-A1 ANTIVIRAL COMPOUNDS Prostetta Antiviral Inc. (US) 2013-05-01 — — EP disclosed
US-20120157435-A1 Antiviral Compounds PROSETTA ANTIVIRAL INC. (US) 2012-06-21 — — US disclosed
WO-2011137447-A1 ANTIVIRAL COMPOUNDS PROSTETTA ANTIVIRAL INC. (US) 2011-11-03 — — 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 (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-20120157435-A1 Antiviral Compounds MAVS, ZC3HAV1, EIF2AK2 PDK2 1288/4885GPR119 3437/4885ALK 3522/4885

“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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