SCHEMBL5487558

SCHEMBL5487558

CC(=O)N[C@@H](CCC(N)=O)C(=O)NC1(C(=O)NCCCCNC(N)=NC#N)Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL23R Q5VWK5 1/20 0.41
PROC P04070 8/20 0.38
F2 P00734 4/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
KISS1R Q969F8 1/20 0.35
APC P25054 1/20 0.34
NMUR2 Q9GZQ4 1/20 0.34
NMUR1 Q9HB89 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL5487554 1.00 IL23R (0.41) IL23RPROCF2MEN1ALDH1A1
SCHEMBL14628517 0.88 IL23R (0.38) IL23RPROCF2MEN1ALDH1A1
SCHEMBL14628524 0.87 SIRT6 (0.43) IL23RPROCF2MEN1ALDH1A1
SCHEMBL5495108 0.86 PROC (0.45) IL23RPROCF2MEN1ALDH1A1
SCHEMBL5492067 0.86 PROC (0.45) IL23RPROCF2MEN1ALDH1A1
SCHEMBL5496533 0.82 IL23R (0.40) IL23RPROCF2MEN1ALDH1A1
SCHEMBL14628529 0.81 MEN1 (0.51) MEN1ALDH1A1HPGDKMT2AAPC
SCHEMBL5489223 0.77 F2 (0.43) PROCF2
SCHEMBL5489228 0.77 F2 (0.43) PROCF2
SCHEMBL14598285 0.77 F2 (0.43) PROCF2

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
EP-1753782-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2007-02-21 EP disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 US disclosed
WO-2005123770-A1 MEDIATORS OF REVERSE CHOLESTEROL TRANSPORT FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA AVANIR PHARMACEUTICALS (US) 2005-12-29 WO 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 IL23R 2980/4885PROC 569/4885F2 3991/4885

“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.