SCHEMBL21611937

SCHEMBL21611937

FC(F)(F)c1cc(SCc2cnc(Br)s2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ LOX P28300 1/20 0.37
▸ PPARD Q03181 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ TYMS P04818 2/20 0.32
▸ DAO P14920 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PPARA Q07869 1/20 0.30

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
SCHEMBL21611942 0.79 PPARD (0.47) LOXL2LOXPPARDSMN1; SMN2CYP2C9
SCHEMBL21611945 0.76 LOXL2 (0.38) LOXL2LOXNOTUMIDO1GRIN1
SCHEMBL21612047 0.75 PPARD (0.48) LOXL2LOXPPARDSMN1; SMN2CYP2C9
SCHEMBL21612045 0.73 CYP2C19 (0.53) LOXL2LOXCYP2C9CYP2C19CYP1A2
SCHEMBL15454013 0.73 LOXL2 (0.46) LOXL2LOXSMN1; SMN2DAOCYP3A4
SCHEMBL30016369 0.73 LOXL2 (0.46) LOXL2LOXSMN1; SMN2DAOCYP3A4
SCHEMBL21611927 0.69 PDK1 (0.40) LOXL2LOXNOTUMIDO1GRIN1
SCHEMBL21611926 0.68 ALDH1A1 (0.47) LOXL2LOXNOTUMIDO1GRIN1
SCHEMBL21611917 0.68 TAS2R14 (0.41) LOXL2LOXNOTUMIDO1TYMS
SCHEMBL20308676 0.67 LOXL2 (0.48) LOXL2LOXCYP2C9NOTUMIDO1

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
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
US-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 — — 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-20160200639-A1 INTERMOLECULAR C-H SILYLATION OF UNACTIVATED ARENES CCNH, CTTN, CCRL2 LOXL2 1205/4885LOX 1545/4885PPARD 4231/4885
US-11883387-B2 PqsR inverse agonists QRFPR, P2RY11, QARS1 LOXL2 4197/4885LOX 4457/4885PPARD 297/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 LOXL2 4197/4885LOX 4457/4885PPARD 297/4885

“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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