SCHEMBL2428090

SCHEMBL2428090

COC(=O)c1ccc(C(=O)OC(C)(C)C)c2cc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.47
PIM1 P11309 1/20 0.47
NR4A2 P43354 7/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CREBBP Q92793 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATR Q13535 1/20 0.36
NUDT1 P36639 1/20 0.36
MAP2K1 Q02750 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7497434 0.89 PIM3 (0.55) PIM3PIM1NR4A2KDM4EGLA
SCHEMBL2425691 0.87 KEAP1 (0.41) PIM3PIM1ALDH1A1HTTHSD17B10
SCHEMBL2428082 0.85 BTK (0.48)
SCHEMBL16340090 0.80 PIM3 (0.50) PIM3PIM1NR4A2KDM4EGLA
SCHEMBL27833939 0.79 PIM3 (0.47) PIM3PIM1NR4A2KDM4EGLA
SCHEMBL12565533 0.78 NR4A2 (0.49) PIM3PIM1NR4A2KDM4EGLA
SCHEMBL2589245 0.78 NR4A2 (0.60) PIM3PIM1NR4A2KDM4EGLA
SCHEMBL5258354 0.77 PIM3 (0.47) PIM3PIM1NR4A2KDM4EGLA
SCHEMBL22587514 0.77 PIM3 (0.50) PIM3PIM1NR4A2KDM4EGLA
SCHEMBL14774594 0.77 PIM3 (0.50) PIM3PIM1NR4A2KDM4EGLA

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
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 PIM3 3537/4885PIM1 3182/4885NR4A2 841/4885

“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.