SCHEMBL21611938

SCHEMBL21611938

FC(F)(F)c1cc(SCc2ccc(-c3ccc(Oc4ccccc4)nc3)cn2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.40
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ LOX P28300 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ LIPE Q05469 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ GCK P35557 1/20 0.33
▸ GAA P10253 1/20 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
SCHEMBL21611925 0.92 CYP3A4 (0.41) LTA4HALOX5APFEN1BLMCYP3A4
SCHEMBL21612043 0.79 CYP2C19 (0.56) LTA4HBLMCYP3A4CYP2C19GPR84
SCHEMBL21614746 0.79 LOXL2 (0.35) ALOX5APFEN1CYP2C19ALDH1A1L3MBTL1
SCHEMBL21614743 0.79 DAO (0.38) ALDH1A1POLBL3MBTL1NPSR1LOXL2
SCHEMBL21614744 0.79 HDAC1 (0.36) ALOX5APFEN1CYP3A4CYP2C19LOXL2
SCHEMBL21612047 0.74 PPARD (0.48) LTA4HALOX5APFEN1CYP3A4CYP2C19
SCHEMBL21611924 0.74 CDK2 (0.38) CYP3A4CYP2C19ALDH1A1
SCHEMBL21611945 0.74 LOXL2 (0.38) LOXL2LOX
SCHEMBL21614668 0.71 CYP3A4 (0.67) CYP3A4CYP2C19
SCHEMBL15454013 0.71 LOXL2 (0.46) CYP3A4L3MBTL1LOXL2LOXSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11883387-B2 PqsR inverse agonists Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-01-30 — — US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
US-20210353606-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-11-18 — — US disclosed
EP-3818045-A1 PQSR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-05-12 — — EP disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — WO disclosed
WO-2020007938-A1 PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-01-09 — — WO 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-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 LTA4H 1192/4885ALOX5AP 1117/4885FEN1 4856/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 LTA4H 1192/4885ALOX5AP 1117/4885FEN1 4856/4885

“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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