SCHEMBL30538840

SCHEMBL30538840

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 2/20 0.60
▸ ERAP2 Q6P179 2/20 0.60
▸ ERAP1 Q9NZ08 2/20 0.60
▸ PTPN1 P18031 1/20 0.59
▸ LTA4H P09960 3/20 0.55
▸ MME P08473 1/20 0.54
▸ ACE P12821 1/20 0.54
▸ CPA1 P15085 1/20 0.54
▸ ACE2 Q9BYF1 1/20 0.54
▸ LAP3 P28838 1/20 0.54
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ CTSK P43235 4/20 0.52
▸ CTSS P25774 2/20 0.52
▸ CAPN1 P07384 2/20 0.52
▸ CTSL P07711 2/20 0.51

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
SCHEMBL30538835 0.93 IL1RN (0.60) IL1RNERAP2ERAP1PTPN1LTA4H
SCHEMBL30538862 0.92 LTA4H (0.61) IL1RNERAP2ERAP1LTA4HMME
Hydrochloric Acid SCHEMBL31321913 0.89 ERAP2 (0.56) IL1RNERAP2ERAP1PTPN1LTA4H
SCHEMBL25901501 0.87 CTSK (0.56) IL1RNERAP2ERAP1PTPN1LTA4H
SCHEMBL21430307 0.86 REN (0.65) PTPN1CTSKCTSSCTSL
Hydrochloric Acid SCHEMBL11759463 0.86 CTSK (0.58) CTSKCTSSCTSL
Hydrochloric Acid SCHEMBL11759454 0.86 CTSK (0.58) CTSKCTSSCTSL
SCHEMBL30576715 0.85 PTPN1 (0.61) IL1RNERAP2ERAP1PTPN1LTA4H
SCHEMBL11662651 0.84 PTPN1 (0.64) IL1RNERAP2ERAP1PTPN1CTSK
SCHEMBL21430300 0.84 REN (0.67) PTPN1

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.

Send feedback