SCHEMBL13701747

SCHEMBL13701747

CC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HTT P42858 1/20 0.73
LMNA P02545 4/20 0.65
ALDH1A1 P00352 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
RAB9A P51151 3/20 0.62
POLB P06746 1/20 0.61
PKM P14618 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KEAP1 Q14145 1/20 0.54

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
SCHEMBL13701763 0.86 HDAC3 (0.61) HDAC8HDAC6HTTLMNAALDH1A1
SCHEMBL14947453 0.83 HDAC2 (0.73) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL4070835 0.83 HDAC2 (0.77) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL5032437 0.80 HDAC2 (0.73) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL13701740 0.80 LMNA (0.58) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL13701748 0.79 HDAC2 (0.68) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL5681701 0.78 HTT (0.87) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL13186461 0.77 HDAC8 (0.72) HDAC2HDAC8HDAC6HTTLMNA
SCHEMBL2282705 0.77 MAOA (0.48) HTTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL13701703 0.77 SMN1; SMN2 (0.58) HTTLMNAALDH1A1SMN1; SMN2RAB9A

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 HDAC2 2043/4885HDAC8 1490/4885HDAC6 3863/4885

“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.