SCHEMBL30538835

SCHEMBL30538835

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 3/20 0.60
▸ ERAP2 Q6P179 3/20 0.60
▸ ERAP1 Q9NZ08 3/20 0.60
▸ PTPN1 P18031 1/20 0.59
▸ CAPN1 P07384 2/20 0.55
▸ CTSK P43235 4/20 0.52
▸ CTSS P25774 2/20 0.52
▸ LTA4H P09960 2/20 0.52
▸ MME P08473 1/20 0.52
▸ ACE P12821 1/20 0.52
▸ CPA1 P15085 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ LAP3 P28838 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ CTSL P07711 3/20 0.51
▸ HTRA1 Q92743 1/20 0.51
▸ REN P00797 1/20 0.49
▸ CTSB P07858 1/20 0.49

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
SCHEMBL30538840 0.93 IL1RN (0.60) IL1RNERAP2ERAP1PTPN1CAPN1
SCHEMBL30576715 0.88 PTPN1 (0.61) IL1RNERAP2ERAP1PTPN1CAPN1
SCHEMBL22928960 0.87 REN (0.65) PTPN1CAPN1CTSKCTSLREN
SCHEMBL21429366 0.87 REN (0.65) PTPN1CAPN1CTSKCTSLREN
SCHEMBL30538862 0.87 LTA4H (0.61) IL1RNERAP2ERAP1LTA4HMME
SCHEMBL30538866 0.85 CAPN1 (0.74) PTPN1CAPN1CTSKCTSSCTSL
SCHEMBL11662651 0.83 PTPN1 (0.64) IL1RNERAP2ERAP1PTPN1CAPN1
Hydrochloric Acid SCHEMBL31321913 0.82 ERAP2 (0.56) IL1RNERAP2ERAP1PTPN1CTSK
SCHEMBL25901501 0.81 CTSK (0.56) IL1RNERAP2ERAP1PTPN1CAPN1
SCHEMBL21430307 0.80 REN (0.65) PTPN1CTSKCTSSCTSLREN

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-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 — — 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-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA IL1RN 995/4885ERAP2 2626/4885ERAP1 1806/4885

“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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