SCHEMBL6490168

SCHEMBL6490168

CC(C)(C)OC(=O)Nc1cccc(CCN(C(=O)OC(C)(C)C)c2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
CYP17A1 P05093 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
SMO Q99835 5/20 0.34
MTTP P55157 8/20 0.33
APOB P04114 7/20 0.33
MCHR1 Q99705 1/20 0.33
P2RY14 Q15391 1/20 0.33

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
SCHEMBL6500413 0.92 TP53 (0.35) CYP17A1HDAC6HDAC1
SCHEMBL6500169 0.91 DGAT1 (0.34) RXFP1HDAC6HDAC1SMOMTTP
SCHEMBL6487517 0.87 TP53 (0.39) HDAC6HDAC1
SCHEMBL6792697 0.85 MTTP (0.45) RXFP1SMOMTTPAPOB
SCHEMBL6498208 0.85 CYP17A1 (0.37) CYP17A1HDAC6HDAC1
SCHEMBL6490538 0.85 CHRNB2 (0.38) RXFP1CYP17A1SMOMTTPAPOB
SCHEMBL6501309 0.83 TP53 (0.34) CYP17A1HDAC6HDAC1
SCHEMBL6490132 0.81 LCK (0.39)
SCHEMBL6499810 0.80 CTNNB1 (0.38)
SCHEMBL6487457 0.80 DRD2 (0.47) SMOMTTPAPOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 RXFP1 1851/4885CYP17A1 1340/4885HDAC6 809/4885

“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.