SCHEMBL20540940

SCHEMBL20540940

CNCC(=O)NC(Cc1ccccc1F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.46
ICAM1 P05362 4/20 0.46
ITGAL P20701 4/20 0.46
PTPN1 P18031 5/20 0.45
PTPN2 P17706 4/20 0.45
CDC25B P30305 4/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
FOLH1 Q04609 1/20 0.43
ACE P12821 2/20 0.43
MME P08473 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL22503688 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL30411705 0.89 CTSS (0.42) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL22503768 0.84 FOLH1 (0.50) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL22503648 0.83 PTPN1 (0.52) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL20540507 0.83 PRSS1 (0.48) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL22503717 0.83 PRSS1 (0.48) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL503584 0.82 TNF (0.53) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL503585 0.82 TNF (0.53) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL27501725 0.82 TNF (0.53) ITGB2ICAM1ITGALPTPN1PTPN2
SCHEMBL692547 0.82 CTSS (0.47) ITGB2ICAM1ITGALPTPN1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453699-B2 Antimicrobial compounds and/or modulators of microbial infections and methods of using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2022-09-27 US disclosed
US-20210054025-A1 ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME UNIV INDIANA RES & TECH CORP (US) 2021-02-25 US disclosed
US-10793594-B2 Antimicrobial compounds and/or modulators of microbial infections and methods of using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2020-10-06 US disclosed
US-20180305402-A1 ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-10-25 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 (4 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-10793594-B2 Antimicrobial compounds and/or modulators of microbial infections and methods of using the same CD47, CGAS, FPR1 ITGB2 2174/4885ICAM1 57/4885ITGAL 2167/4885
US-20180305402-A1 ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME CD47, CGAS, FPR1 ITGB2 2174/4885ICAM1 57/4885ITGAL 2167/4885
US-11453699-B2 Antimicrobial compounds and/or modulators of microbial infections and methods of using the same CD47, CGAS, FPR1 ITGB2 2174/4885ICAM1 57/4885ITGAL 2167/4885
US-20210054025-A1 ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME CD47, CGAS, FPR1 ITGB2 2174/4885ICAM1 57/4885ITGAL 2167/4885

“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.