SCHEMBL4878413

SCHEMBL4878413

O=C(NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.47
CNR1 P21554 1/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CACNA1B Q00975 3/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL14161927 0.91 MAPT (0.46) MAPTXBP1HTTKMT2ALMNA
SCHEMBL4881964 0.87 HTT (0.52) MAPTXBP1HTTKMT2ALMNA
SCHEMBL4010903 0.81 LMNA (0.69) MAPTXBP1HTTKMT2ALMNA
SCHEMBL4882300 0.81 MEN1 (0.53) MAPTHTTKMT2ALMNACNR1
SCHEMBL4872365 0.81 LMNA (0.55) KMT2ALMNAGAASMN1; SMN2PKM
SCHEMBL14161898 0.77 KMT2A (0.47) MAPTXBP1HTTKMT2ALMNA
SCHEMBL4541867 0.76 CNR1 (0.51) HTTKMT2ALMNAL3MBTL1USP2
SCHEMBL27764417 0.75 MAPT (0.83) MAPTXBP1HTTKMT2A
SCHEMBL8049802 0.75 KMT2A (0.52) HTTKMT2ALMNAL3MBTL1CNR1
SCHEMBL4009897 0.75 CNR1 (0.65) MAPTXBP1HTTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 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-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 MAPT 4647/4885XBP1 3186/4885HTT 4722/4885

“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.