SCHEMBL20950865

SCHEMBL20950865

CC(C)C[C@H](NC(=O)[C@H](CCCN)NC(=O)Cc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.51
ERAP1 Q9NZ08 3/20 0.51
LNPEP Q9UIQ6 3/20 0.51
CTSL P07711 1/20 0.50
MMP1 P03956 1/20 0.48
FCER2 P06734 1/20 0.48
KISS1R Q969F8 4/20 0.48
PSMB8 P28062 1/20 0.48
PSMB5 P28074 1/20 0.48
REN P00797 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
NPY1R P25929 1/20 0.47
PTPN1 P18031 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46

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
SCHEMBL20950866 1.00 ERAP2 (0.51) ERAP2ERAP1LNPEPCTSLMMP1
SCHEMBL20952029 0.88 KISS1R (0.54) CTSLKISS1RNPY1R
SCHEMBL20952030 0.88 KISS1R (0.54) CTSLKISS1RNPY1R
SCHEMBL6941568 0.87 PSMB8 (0.61) ERAP2ERAP1LNPEPCTSLMMP1
SCHEMBL9203772 0.85 ITGB3 (0.54) NPY1RPTPN1CHRNA1CHRNGCHRNB1
SCHEMBL5967294 0.83 PSMB8 (0.54) ERAP2ERAP1LNPEPCTSLMMP1
SCHEMBL17741125 0.80 PSMB5 (0.60) MMP1FCER2KISS1RPSMB5REN
SCHEMBL21883433 0.79 OPRD1 (0.57) KISS1ROPRK1
SCHEMBL20964453 0.79 PTPN1 (0.57) CTSLPTPN1CHRNA1CHRNGCHRNB1
SCHEMBL8524876 0.79 ITGB3 (0.62) CHRNA1CHRNGCHRNB1CHRNDGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
EP-3700545-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS Southern Research Institute (US) 2020-09-02 EP disclosed
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 US disclosed
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 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 (2 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-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS TGFB1, TGFB2, SMAD3 ERAP2 156/4885ERAP1 84/4885LNPEP 44/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 ERAP2 156/4885ERAP1 84/4885LNPEP 44/4885

“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.