SCHEMBL4881964

SCHEMBL4881964

O=C(NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
XBP1 P17861 1/20 0.52
LMNA P02545 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.49
CNR1 P21554 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 2/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 1/20 0.46
CACNA1B Q00975 2/20 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
SCHEMBL4878413 0.87 MAPT (0.51) HTTMAPTXBP1LMNAL3MBTL1
SCHEMBL14161898 0.87 KMT2A (0.47) HTTMAPTXBP1LMNAL3MBTL1
SCHEMBL4010903 0.84 LMNA (0.69) HTTMAPTXBP1LMNAL3MBTL1
SCHEMBL4883298 0.79 LMNA (0.60) LMNASMN1; SMN2KMT2AGAA
SCHEMBL4880877 0.79 MEN1 (0.57) HTTMAPTLMNACNR1SMN1; SMN2
SCHEMBL14161927 0.79 MAPT (0.46) HTTMAPTXBP1LMNAL3MBTL1
SCHEMBL4009897 0.78 CNR1 (0.65) HTTMAPTXBP1LMNACNR1
SCHEMBL4541867 0.77 CNR1 (0.51) HTTLMNAL3MBTL1USP2CNR1
SCHEMBL14161843 0.77 KMT2A (0.49) HTTMAPTXBP1LMNAL3MBTL1
SCHEMBL8049802 0.76 KMT2A (0.52) HTTLMNAL3MBTL1CNR1SMN1; SMN2

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 HTT 4722/4885MAPT 4647/4885XBP1 3186/4885

“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.