SCHEMBL17709786

SCHEMBL17709786

O=C(c1ccc(Br)c(Cl)c1Cl)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
MAPK1 P28482 2/20 0.35
IDO1 P14902 2/20 0.33
HTT P42858 2/20 0.33
TMPRSS4 Q9NRS4 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL17711373 0.85 IDO1 (0.35) CES1MAPK1IDO1HTTTMPRSS4
SCHEMBL28578531 0.80 CES1 (0.39) CES1MAPK1HTTPLA2G2DKDM4E
SCHEMBL28593038 0.77 KDM4E (0.37) CES1MAPK1IDO1HTTPLA2G2D
SCHEMBL31678938 0.76 FLT1 (0.46) MAPK1IDO1TMPRSS4KDM4ELMNA
SCHEMBL612265 0.76 FLT1 (0.46) MAPK1IDO1TMPRSS4KDM4ELMNA
SCHEMBL3784559 0.75 CES1 (0.46) CES1MAPK1HTTPLA2G2DKDM4E
SCHEMBL17716653 0.73 ERCC5 (0.32) MAPK1
SCHEMBL17712240 0.73 DGAT1 (0.33)
SCHEMBL29509392 0.73 DGAT1 (0.33)
SCHEMBL29051456 0.72 HTT (0.54) IDO1HTTKDM4ELMNAMAPT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3354651-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2021-01-06 EP disclosed
EP-3212642-B1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORGAMMAT JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed
EP-3212643-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-03-20 EP disclosed
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA, NV (BE) 2018-12-11 US disclosed
EP-3212641-B1 THIAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2018-12-05 EP disclosed
US-10080744-B2 Thiazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2018-09-25 US disclosed
EP-3354651-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2018-08-01 EP disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
WO-2016069978-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORγT JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
WO-2016069976-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 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 (6 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-20160120850-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA CES1 1188/4885MAPK1 3643/4885IDO1 1264/4885
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt RORC, RORA, RORB CES1 795/4885MAPK1 3055/4885IDO1 786/4885
US-10080744-B2 Thiazoles as modulators of RORγt RORB, RORA, RORC CES1 949/4885MAPK1 3494/4885IDO1 1645/4885
US-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORC, RORA, RORB CES1 653/4885MAPK1 2683/4885IDO1 1305/4885
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt RORC, RORA, RORB CES1 381/4885MAPK1 2891/4885IDO1 1391/4885
US-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA CES1 1412/4885MAPK1 3472/4885IDO1 1408/4885

“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.