SCHEMBL21611947

SCHEMBL21611947

Nc1cc(SCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)nc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL21614652 0.79 CYP2C19 (0.41) PPARDSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL21611931 0.76 — —
SCHEMBL21612047 0.75 PPARD (0.48) PPARDALDH1A1SMN1; SMN2S1PR1GRM2
SCHEMBL21614722 0.75 RAB9A (0.32) RAB9ANPC1LOXLOXL2
SCHEMBL21611990 0.72 GRIN1 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL21611964 0.71 CYP3A4 (0.50) —
SCHEMBL27218667 0.66 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL21611987 0.65 CYP2C19 (0.49) ALDH1A1SMN1; SMN2S1PR1LMNAHDAC3
SCHEMBL21614677 0.65 CYP2C19 (0.60) SMN1; SMN2S1PR1HDAC3HDAC4HDAC1
SCHEMBL14555283 0.61 HDAC4 (0.48) SMN1; SMN2S1PR1PTGDR2RAB9ANPC1

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 PPARD 297/4885ALDH1A1 4593/4885SMN1; SMN2 4555/4885
US-20210353606-A1 PqsR INVERSE AGONISTS QRFPR, P2RY11, QARS1 PPARD 297/4885ALDH1A1 4593/4885SMN1; SMN2 4555/4885

“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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