SCHEMBL25444752

SCHEMBL25444752

C[C@H](NC(=O)CCC(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
GRM5 P41594 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL25447623 1.00 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL16473888 0.83 MEN1 (0.50) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL19988829 0.81 HDAC3 (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL13826274 0.79 PHF8 (0.43) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL13407580 0.79 MEN1 (0.38) MEN1KMT2AFAAHMAPK1CA1
SCHEMBL18946428 0.78 SMN1; SMN2 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1MEN1
SCHEMBL23565702 0.78 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL23079326 0.76 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ASMN1; SMN2FAAH
SCHEMBL15109578 0.76 DPP4 (0.30)
SCHEMBL31483043 0.76 CYP2C9 (0.46) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1

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-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-11 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-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CYP3A4 3262/4885CYP2C9 2235/4885CYP2C19 2273/4885

“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.