SCHEMBL6502409

SCHEMBL6502409

CC(C)(C)C(=O)NCCC1SC(NC2CCCCCCC2)=NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.37
SIRT2 Q8IXJ6 6/20 0.32
SIRT1 Q96EB6 5/20 0.32
SIRT3 Q9NTG7 5/20 0.32
CYP2C9 P11712 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10249415 0.87 EPHX1 (0.34) EPHX1CYP2C9NPC1RAB9AALDH1A1
SCHEMBL6503922 0.83 EPHX1 (0.51) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6390166 0.83 NAAA (0.38) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6504671 0.83 EPHX1 (0.51) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6427758 0.83 NAAA (0.41) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1605821 0.82 EPHX1 (0.32) EPHX1CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL6499847 0.82 RAB9A (0.36) EPHX1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1605237 0.79 ADORA1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1605232 0.79 SLC29A1 (0.34) EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL6427508 0.78 KDM4E (0.40) HTR1AALDH1A1HPGDMEN1KMT2A

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 EPHX1 299/4885SIRT2 1329/4885SIRT1 563/4885

“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.