SCHEMBL17534495

SCHEMBL17534495

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(N)CC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ HCRTR1 O43613 1/20 0.61
▸ IL1RN P18510 8/20 0.59
▸ ERAP2 Q6P179 8/20 0.59
▸ MMP2 P08253 2/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ MMP1 P03956 1/20 0.57
▸ ACE P12821 1/20 0.57
▸ ERAP1 Q9NZ08 2/20 0.56
▸ ANPEP P15144 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ NPBWR1 P48145 1/20 0.56
▸ MCHR1 Q99705 1/20 0.56

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
SCHEMBL17534499 1.00 MEN1 (0.61) MEN1KMT2AHCRTR1IL1RNERAP2
SCHEMBL28043198 0.92 KMT2A (0.61) MEN1KMT2AHCRTR1IL1RNERAP2
SCHEMBL20829913 0.91 KMT2A (0.66) MEN1KMT2AHCRTR1IL1RNERAP2
SCHEMBL30800609 0.91 KMT2A (0.66) MEN1KMT2AHCRTR1IL1RNERAP2
SCHEMBL29845269 0.89 IL1RN (0.67) MEN1KMT2AHCRTR1IL1RNERAP2
SCHEMBL7398615 0.89 IL1RN (0.67) MEN1KMT2AHCRTR1IL1RNERAP2
SCHEMBL20829978 0.89 OPRK1 (0.62) MEN1KMT2AHCRTR1IL1RNERAP2
SCHEMBL14941216 0.89 ACE (0.68) MEN1KMT2AACEMAPT
SCHEMBL7422711 0.89 ACE (0.68) MEN1KMT2AACEMAPT
SCHEMBL29603940 0.89 ACE (0.68) MEN1KMT2AACEMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399661-B2 Tetrapeptide copper catalysts capable of oxidizing hydrocarbons at room temperature UNIVERSITY OF THE WEST INDIES (TT) 2016-07-26 — — US disclosed
US-20160060292-A1 Tetrapeptide Copper Catalysts Capable Of Oxidizing Hydrocarbons At Room Temperature UNIVERSITY OF THE WEST INDIES (TT) 2016-03-03 — — 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-20160060292-A1 Tetrapeptide Copper Catalysts Capable Of Oxidizing Hydrocarbons At Room Temperature SOD1, SOD3, AOC1 MEN1 2131/4885KMT2A 3995/4885HCRTR1 1706/4885

“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.

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