SCHEMBL2795045

SCHEMBL2795045

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(N(Cc2ccco2)C(=O)OCc2ccccc2)CC1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
THRB P10828 2/20 0.43
CTSL P07711 1/20 0.42
UBE2M P61081 3/20 0.42
DCUN1D1 Q96GG9 3/20 0.42
CCR5 P51681 3/20 0.40
CCR1 P32246 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL2797116 0.85 GPR119 (0.49) KMT2ATHRBUBE2MDCUN1D1CCR5
SCHEMBL2791118 0.84 THRB (0.45) THRBUBE2MDCUN1D1CCR5CCR1
Hydrochloric Acid SCHEMBL2791115 0.84 THRB (0.44) THRBUBE2MDCUN1D1CCR5CCR1
Hydrochloric Acid SCHEMBL2791119 0.84 THRB (0.44) THRBUBE2MDCUN1D1CCR5CCR1
SCHEMBL2797087 0.83 THRB (0.39) THRBCTSLUBE2MDCUN1D1CCR1
SCHEMBL2907313 0.80 THRB (0.49) THRBUBE2MDCUN1D1CCR5
SCHEMBL2797093 0.80 THRB (0.38) THRBCTSLUBE2MDCUN1D1CCR5
SCHEMBL2797092 0.80 THRB (0.38) THRBCTSLUBE2MDCUN1D1CCR5
SCHEMBL9546510 0.80 CCR1 (0.54) KMT2ACTSLCCR5CCR1MAPK1
SCHEMBL9546604 0.76 CCR1 (0.56) KMT2ACTSLCCR5CCR1MAPK1

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-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2010-07-01 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-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF PDF, PEPD, DPEP1 KMT2A 2750/4885THRB 3339/4885CTSL 220/4885

“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.