SCHEMBL21994827

SCHEMBL21994827

COC[C@H](NC(=O)[C@H](C)N)C(=O)N(C)[C@H](CC(=O)O)Cc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
FDFT1 P37268 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPY5R Q15761 1/20 0.37
MAOB P27338 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
CTRB1 P17538 3/20 0.37
MME P08473 2/20 0.36
ACACB O00763 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSC P53634 1/20 0.36
FPR2 P25090 1/20 0.35

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
SCHEMBL21994387 1.00 KMT2A (0.38) KMT2AMEN1FDFT1ALDH1A1NPY5R
SCHEMBL21994482 0.84 FDFT1 (0.37) KMT2AMEN1FDFT1ALDH1A1NPY5R
SCHEMBL21994480 0.84 FDFT1 (0.37) KMT2AMEN1FDFT1ALDH1A1NPY5R
SCHEMBL21995194 0.84 MAOB (0.39) KMT2AMEN1ALDH1A1NPY5RMAOB
SCHEMBL21995197 0.84 MAOB (0.39) KMT2AMEN1ALDH1A1NPY5RMAOB
SCHEMBL30191519 0.81 NPY5R (0.33) NPY5RMAOBMMP1CTRB1
SCHEMBL21994864 0.78 AVPR1A (0.33) FDFT1ALDH1A1
SCHEMBL21994866 0.78 AVPR1A (0.33) FDFT1ALDH1A1
SCHEMBL30191560 0.74 PTPN1 (0.43)
SCHEMBL30340429 0.73 MME (0.55) KMT2AALDH1A1CTRB1MME

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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 US disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2020-06-04 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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 KMT2A 3622/4885MEN1 453/4885FDFT1 1274/4885

“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.