SCHEMBL2594780

SCHEMBL2594780

CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)Sc2cc(N4CCN(C(=O)OC(C)(C)C)CC4)cc(C(F)(F)F)c2N3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GPR119 Q8TDV5 9/20 0.44
▸ ALK Q9UM73 2/20 0.42
▸ BCHE P06276 1/20 0.42
▸ SOS1 Q07889 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL2585068 0.90 SIRT6 (0.41) PDK2MAPTALDH1A1GPR119ALK
SCHEMBL2594032 0.86 PDK2 (0.36) PDK2MAPTALDH1A1LMNAGPR119
SCHEMBL9933040 0.86 BCHE (0.40) PDK2GPR119ALKBCHE
SCHEMBL2592963 0.84 LGMN (0.38) PDK2GPR119BCHE
SCHEMBL13386281 0.81 PIK3CA (0.41) PDK2MAPTALDH1A1LMNAGPR119
SCHEMBL13386253 0.79 BACE1 (0.41) PDK2MAPTALDH1A1LMNAGPR119
SCHEMBL21196734 0.79 BCHE (0.41) PDK2MAPTALDH1A1LMNAGPR119
SCHEMBL13386210 0.78 BCHE (0.42) MAPTALDH1A1LMNAGPR119BCHE
SCHEMBL31342100 0.78 GPR119 (0.66) PDK2MAPTALDH1A1LMNAGPR119
SCHEMBL2591986 0.77 BCHE (0.47) MAPTGPR119BCHESMN1; SMN2MEN1

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 1288/4885MAPT 693/4885ALDH1A1 1573/4885

“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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