SCHEMBL16021588

SCHEMBL16021588

CCC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CSC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TEAD4 Q15561 2/20 0.44
▸ TEAD3 Q99594 2/20 0.44
▸ OPRD1 P41143 4/20 0.41
▸ OPRK1 P41145 3/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ KDM1A O60341 2/20 0.41
▸ RCOR1 Q9UKL0 2/20 0.41
▸ F12 P00748 2/20 0.40
▸ EPHA2 P29317 1/20 0.40
▸ KLK7 P49862 3/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ CTSG P08311 2/20 0.40
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ TSLP Q969D9 1/20 0.38

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
SCHEMBL29875816 1.00 TEAD4 (0.44) TEAD4TEAD3OPRD1OPRK1OPRM1
SCHEMBL21973224 1.00 TEAD4 (0.44) TEAD4TEAD3OPRD1OPRK1OPRM1
SCHEMBL29875639 0.77 KDM1A (0.43) TEAD4TEAD3OPRD1OPRK1OPRM1
SCHEMBL13029942 0.73 TEAD4 (0.40) TEAD4TEAD3KDM1ARCOR1F12
SCHEMBL16023827 0.73 KEAP1 (0.42) OPRD1OPRK1OPRM1KDM1ARCOR1
SCHEMBL21973546 0.73 KEAP1 (0.42) OPRD1OPRK1OPRM1KDM1ARCOR1
SCHEMBL13029979 0.72 TEAD4 (0.39) TEAD4TEAD3KDM1ARCOR1F12
SCHEMBL20283327 0.71 KLK7 (0.49) OPRD1OPRK1OPRM1KLK7KEAP1
SCHEMBL29850820 0.66 ACE (0.57) —
SCHEMBL22677563 0.65 KDM1A (0.61) KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140489-A1 Peptide-Based Quorum Sensing Inhibitors for the Attenuation of Virulence in Staphylococcus Aureus WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-05-07 — — US disclosed
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-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-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
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 (3 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 TEAD4 1771/4885TEAD3 2146/4885OPRD1 2897/4885
US-20200140489-A1 Peptide-Based Quorum Sensing Inhibitors for the Attenuation of Virulence in Staphylococcus Aureus QRFPR, SCTR, SRRT TEAD4 1771/4885TEAD3 2146/4885OPRD1 2897/4885
US-20140256615-A1 PEPTIDE-BASED QUORUM SENSING INHIBITORS FOR THE ATTENUATION OF VIRULENCE IN STAPHYLOCOCCUS AUREUS QRFPR, SCTR, SRRT TEAD4 1771/4885TEAD3 2146/4885OPRD1 2897/4885

“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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