SCHEMBL16023827

SCHEMBL16023827

CCC(C)[C@@H]1NC(=O)CN(CC(=O)N[C@H]2CSC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC2=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.42
▸ ITGB2 P05107 4/20 0.39
▸ ITGB1 P05556 4/20 0.39
▸ ITGA4 P13612 4/20 0.39
▸ ITGA1 P56199 4/20 0.39
▸ ITGB7 P26010 3/20 0.39
▸ GABRA4 P48169 3/20 0.39
▸ ITGAM P11215 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ KDM1A O60341 2/20 0.37
▸ RCOR1 Q9UKL0 2/20 0.37
▸ CTSG P08311 2/20 0.37
▸ HSP90AB1 P08238 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PPM1D O15297 1/20 0.36

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
SCHEMBL21973546 1.00 KEAP1 (0.42) KEAP1ITGB2ITGB1ITGA4ITGA1
SCHEMBL21973224 0.73 TEAD4 (0.44) KEAP1KDM1ARCOR1CTSGOPRM1
SCHEMBL16021588 0.73 TEAD4 (0.44) KEAP1KDM1ARCOR1CTSGOPRM1
SCHEMBL29875816 0.73 TEAD4 (0.44) KEAP1KDM1ARCOR1CTSGOPRM1
SCHEMBL20283327 0.72 KLK7 (0.49) KEAP1OPRM1OPRD1OPRK1
SCHEMBL16021609 0.66 SOAT2 (0.43) ITGB1ITGA4
SCHEMBL29885810 0.64 GHSR (0.51) —
SCHEMBL24867898 0.64 ITGB1 (0.38) ITGB2ITGB1ITGA4ITGA1ITGB7
SCHEMBL22540885 0.64 ITGB1 (0.38) ITGB2ITGB1ITGA4ITGA1ITGB7
SCHEMBL3124456 0.64 GAA (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194360-A1 PEPTIDE-BASED QUORUM SENSING INHIBITORS FOR THE ATTENUATION OF VIRULENCE IN STAPHYLOCOCCUS AUREUS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2016-07-07 — — US disclosed
US-9227996-B2 Peptide-based quorum sensing inhibitors for the attenuation of virulence in Staphylococcus aureus WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-01-05 — — US disclosed
US-20140256615-A1 PEPTIDE-BASED QUORUM SENSING INHIBITORS FOR THE ATTENUATION OF VIRULENCE IN STAPHYLOCOCCUS AUREUS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-11 — — 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-20160194360-A1 PEPTIDE-BASED QUORUM SENSING INHIBITORS FOR THE ATTENUATION OF VIRULENCE IN STAPHYLOCOCCUS AUREUS QRFPR, SCTR, SRRT KEAP1 2115/4885ITGB2 4506/4885ITGB1 4154/4885
US-20140256615-A1 PEPTIDE-BASED QUORUM SENSING INHIBITORS FOR THE ATTENUATION OF VIRULENCE IN STAPHYLOCOCCUS AUREUS QRFPR, SCTR, SRRT KEAP1 2115/4885ITGB2 4506/4885ITGB1 4154/4885

“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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