SCHEMBL4887987

SCHEMBL4887987

CC(C)CC(CN(O)C=O)C(=O)NC(C(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADAM17 P78536 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PRKAA2 P54646 7/20 0.37
PRKAB2 O43741 4/20 0.37
PRKAG1 P54619 4/20 0.37
PRKAA1 Q13131 4/20 0.37
PRKAG3 Q9UGI9 4/20 0.37
PRKAG2 Q9UGJ0 4/20 0.37
PRKAB1 Q9Y478 4/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PDF Q9HBH1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 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
SCHEMBL4887977 1.00 TSHR (0.41) TSHRNPC1RAB9AADAM17HRH2
SCHEMBL4886956 0.91 NPC1 (0.43) TSHRNPC1RAB9AHRH2HRH1
SCHEMBL4602310 0.91 NPC1 (0.43) TSHRNPC1RAB9AHRH2HRH1
SCHEMBL4886058 0.90 KMT2A (0.43) TSHRNPSR1MEN1KMT2A
SCHEMBL4886049 0.90 KMT2A (0.43) TSHRNPSR1MEN1KMT2A
SCHEMBL4602951 0.89 NPSR1 (0.48) TSHRADAM17NPSR1MEN1KMT2A
SCHEMBL4877576 0.89 NPSR1 (0.48) TSHRADAM17NPSR1MEN1KMT2A
SCHEMBL14066497 0.89 TSHR (0.44) TSHRNPSR1MEN1KMT2AEPHX2
SCHEMBL4618893 0.85 MMP2 (0.48) TSHRNPC1RAB9AADAM17MMP1
SCHEMBL4889304 0.82 NPC1 (0.45) TSHRNPC1RAB9AHRH2HRH1

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-20080234333-A1 Novel Hydroxamic Acid Derivative as Peptide Deformylase Inhibitor and Manufacturing Method Thereof KANG JAE-HOON 2008-09-25 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-20080234333-A1 Novel Hydroxamic Acid Derivative as Peptide Deformylase Inhibitor and Manufacturing Method Thereof PDF, PEPD, DHPS TSHR 3586/4885NPC1 2506/4885RAB9A 2582/4885

“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.