SCHEMBL16075596

SCHEMBL16075596

CC1(C)C2CC3OB(c4cccc5cccnc45)O[C@]3(C)C1C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.42
▸ PREP P48147 8/20 0.38
▸ EGFR P00533 1/20 0.35
▸ F2 P00734 4/20 0.35
▸ PSMB5 P28074 5/20 0.33

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
SCHEMBL12960965 1.00 CXCR2 (0.42) CXCR2PREPEGFRF2PSMB5
SCHEMBL19228921 0.80 TSHR (0.32) —
SCHEMBL12721154 0.73 PREP (0.48) CXCR2PREPF2PSMB5
SCHEMBL15780083 0.73 CXCR2 (0.51) CXCR2PREPEGFRF2PSMB5
SCHEMBL21012782 0.72 CXCR2 (0.40) CXCR2PREPF2PSMB5
SCHEMBL5899730 0.71 PREP (0.40) CXCR2PREPEGFRF2PSMB5
SCHEMBL30728958 0.71 KDM4E (0.44) —
SCHEMBL1068456 0.71 KDM4E (0.44) —
SCHEMBL30774154 0.71 KDM4E (0.44) —
SCHEMBL18589064 0.71 PREP (0.41) CXCR2PREPEGFRF2PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224712-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE UNIV DUKE (US) 2017-08-10 — — US disclosed
US-20170224712-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE UNIV DUKE (US) 2017-08-10 — — US disclosed
US-9526740-B2 Prochelators as broad-spectrum antimicrobial agents and methods of use DUKE UNIVERSITY (US) 2016-12-27 — — US disclosed
US-9526740-B2 Prochelators as broad-spectrum antimicrobial agents and methods of use DUKE UNIVERSITY (US) 2016-12-27 — — US disclosed
US-20160220592-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE UNIV DUKE (US) 2016-08-04 — — US disclosed
US-20160220592-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE UNIV DUKE (US) 2016-08-04 — — US disclosed
US-9333213-B2 Prochelators as broad-spectrum antimicrobial agents and methods of use DUKE UNIVERSITY (US) 2016-05-10 — — US disclosed
US-9333213-B2 Prochelators as broad-spectrum antimicrobial agents and methods of use DUKE UNIVERSITY (US) 2016-05-10 — — US disclosed
US-20140274955-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE DUKE UNIVERSITY (US) 2014-09-18 — — US disclosed
US-20140274955-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE DUKE UNIVERSITY (US) 2014-09-18 — — 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-20160220592-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE CLPP, MPO, PSAP CXCR2 1625/4885PREP 25/4885EGFR 4862/4885
US-20170224712-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE CLPP, MPO, PSAP CXCR2 1625/4885PREP 25/4885EGFR 4862/4885
US-20140274955-A1 PROCHELATORS AS BROAD-SPECTRUM ANTIMICROBIAL AGENTS AND METHODS OF USE CLPP, MPO, PSAP CXCR2 1625/4885PREP 25/4885EGFR 4862/4885

“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.

Send feedback