SCHEMBL17144929

SCHEMBL17144929

CCCCCCCc1cc(=O)c2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORA P35398 6/20 0.46
▸ RORC P51449 6/20 0.46
▸ RORB Q92753 6/20 0.46
▸ GHSR Q92847 2/20 0.45
▸ GPR84 Q9NQS5 1/20 0.44
▸ PGR P06401 4/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ KCNA3 P22001 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ ICMT O60725 2/20 0.37

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
SCHEMBL18407425 0.83 GPR84 (0.47) RORARORCRORBGHSRGPR84
SCHEMBL28784738 0.80 CTSV (0.52) RORARORCRORBGPR84PGR
SCHEMBL31619137 0.80 CTSV (0.52) RORARORCRORBGPR84PGR
Schinifoline SCHEMBL27713119 0.80 CTSV (0.52) RORARORCRORBGPR84PGR
SCHEMBL5463807 0.80 CTSV (0.52) RORARORCRORBGPR84PGR
SCHEMBL7913379 0.78 CTSV (0.50) RORARORCRORBGPR84PGR
SCHEMBL18415626 0.75 KIF11 (0.47) RORARORCRORBPGRCYP2C9
SCHEMBL17145105 0.74 GHSR (0.79) GHSRGPR84KIF11CTSVCTSL
SCHEMBL12278995 0.74 GPR84 (0.47) RORARORCRORBGPR84
SCHEMBL12279243 0.74 GPR84 (0.47) RORARORCRORBGPR84

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-10472326-B2 PQSR modulators Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-11-12 — — US disclosed
US-10472326-B2 PQSR modulators Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-11-12 — — US disclosed
EP-3126333-B1 PQSR MODULATORS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2018-08-01 — — EP disclosed
EP-3126333-A1 PQSR MODULATORS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2017-02-08 — — EP disclosed
US-20170022165-A1 PQSR MODULATORS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2017-01-26 — — US disclosed
US-20170022165-A1 PQSR MODULATORS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2017-01-26 — — US disclosed
WO-2015149821-A1 PQSR MODULATORS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2015-10-08 — — 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-10472326-B2 PQSR modulators QARS1, SRPRA, MRPS35 RORA 351/4885RORC 333/4885RORB 281/4885
US-20170022165-A1 PQSR MODULATORS QARS1, SRPRA, MRPS35 RORA 351/4885RORC 333/4885RORB 281/4885

“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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