SCHEMBL13701637

SCHEMBL13701637

CC(C)(C)NC(=O)c1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.59
RXRB P28702 6/20 0.59
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
S100B P04271 1/20 0.53
KMO O15229 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
RXRG P48443 2/20 0.51
BCL2 P10415 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
TRIM24 O15164 1/20 0.49

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
SCHEMBL13701654 0.92 RXRA (0.59) RXRARXRBEPHX2NR1H4S100B
SCHEMBL13701695 0.91 HDAC8 (0.64) RXRARXRBEPHX2NR1H4S100B
SCHEMBL13701638 0.87 PLAU (0.51) HDAC8KMT2APOLBMAPTCTDSP1
SCHEMBL13701675 0.87 CRBN (0.52) HDAC8KMT2APOLBMAPTCTDSP1
SCHEMBL13701634 0.86 MEN1 (0.58) HDAC8MEN1KMT2ANPC1RAB9A
SCHEMBL13701670 0.84 HDAC6 (0.50) HDAC8KMT2APOLBMAPTCTDSP1
SCHEMBL13701766 0.84 S100B (0.60) RXRARXRBS100BMEN1KMT2A
SCHEMBL12168604 0.83 EPHX2 (0.60) RXRARXRBEPHX2NR1H4KMO
SCHEMBL13701631 0.83 HDAC8 (0.54) HDAC8KMT2ANPC1RAB9ALMNA
SCHEMBL29706078 0.82 HDAC6 (0.51) HDAC8MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX RXRA 1130/4885RXRB 964/4885EPHX2 2/4885

“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.