SCHEMBL22503593

SCHEMBL22503593

O=C(O)C(Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.55
ALDH1A1 P00352 1/20 0.48
MME P08473 1/20 0.48
CTSK P43235 1/20 0.47
KCNH2 Q12809 1/20 0.47
ACE P12821 1/20 0.46
MC4R P32245 4/20 0.46
MC3R P41968 2/20 0.46
MC1R Q01726 2/20 0.46
CA2 P00918 1/20 0.45
HTR2C P28335 3/20 0.44
HTR2B P41595 2/20 0.44
MC5R P33032 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6367722 1.00 CTSC (0.55) CTSCALDH1A1MMECTSKKCNH2
SCHEMBL7971253 0.96 CTSC (0.58) CTSCALDH1A1MMECTSKKCNH2
SCHEMBL6374204 0.94 CTSC (0.50) CTSCALDH1A1MMECTSKKCNH2
SCHEMBL22127884 0.89 CTSC (0.56) CTSCMMECTSKKCNH2ACE
SCHEMBL6367393 0.89 CTSC (0.56) CTSCMMECTSKKCNH2ACE
SCHEMBL6367397 0.89 CTSC (0.56) CTSCMMECTSKKCNH2ACE
SCHEMBL21808154 0.89 CTSC (0.68) CTSCALDH1A1MMECTSKKCNH2
SCHEMBL31026629 0.89 CTSC (0.68) CTSCALDH1A1MMECTSKKCNH2
SCHEMBL601567 0.89 CTSC (0.68) CTSCALDH1A1MMECTSKKCNH2
SCHEMBL28122660 0.89 CTSC (0.68) CTSCALDH1A1MMECTSKKCNH2

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-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

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-10793594-B2 Antimicrobial compounds and/or modulators of microbial infections and methods of using the same CD47, CGAS, FPR1 CTSC 797/4885ALDH1A1 1257/4885MME 150/4885
US-20210054025-A1 ANTIMICROBIAL COMPOUNDS AND/OR MODULATORS OF MICROBIAL INFECTIONS AND METHODS OF USING THE SAME CD47, CGAS, FPR1 CTSC 797/4885ALDH1A1 1257/4885MME 150/4885

“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.