SCHEMBL4655121

SCHEMBL4655121

O=C(Cc1ccc(C(F)(F)F)cc1)NCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
EPHX2 P34913 1/20 0.59
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
CDK1 P06493 1/20 0.54
TP53 P04637 2/20 0.51
CNR2 P34972 2/20 0.50
NLRP3 Q96P20 1/20 0.50
ESRRB O95718 1/20 0.49
ESRRG P62508 1/20 0.49
MAPK8 P45983 2/20 0.48
BACE1 P56817 2/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
TACR1 P25103 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PIK3CA P42336 1/20 0.45
PTPRZ1 P23471 1/20 0.45
P2RX7 Q99572 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL4614694 0.81 EPHX2 (0.81) LTA4HEPHX2HDAC1HDAC8TP53
SCHEMBL30899988 0.81 L3MBTL1 (0.67) LTA4HEPHX2HDAC1HDAC8TP53
SCHEMBL2511779 0.79 GLA (0.43) LTA4HEPHX2CDK1CNR2NLRP3
SCHEMBL714137 0.79 HDAC1 (0.63) LTA4HEPHX2HDAC1HDAC8CNR2
SCHEMBL21357567 0.79 TRPV1 (0.58) ESRRBESRRGLMNA
SCHEMBL8425193 0.78 BACE1 (0.54) LTA4HEPHX2HDAC1HDAC8TP53
SCHEMBL28499154 0.78 ALDH1A1 (0.69) LTA4HEPHX2HDAC1HDAC8CNR2
SCHEMBL2511687 0.77 HPGD (0.47) HDAC1CNR2LMNA
SCHEMBL7241146 0.77 GAA (0.60) EPHX2SMN1; SMN2
SCHEMBL8566065 0.77 HDAC1 (0.61) LTA4HEPHX2HDAC1HDAC8CNR2

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
EP-1996198-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2008-12-03 EP disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US 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-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR PPARG, PPARA, PPARD LTA4H 1678/4885EPHX2 3603/4885HDAC1 260/4885

“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.