SCHEMBL17711366

SCHEMBL17711366

O=C(c1ccc(Br)c(OC(F)F)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.41
MLYCD O95822 3/20 0.41
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
CES1 P23141 1/20 0.38
ACHE P22303 2/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6120083 0.82 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CALOX15
SCHEMBL19214125 0.81 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CALOX15
SCHEMBL17711306 0.81 ALDH1A1 (0.49) MLYCDACHEHTT
SCHEMBL6120909 0.78 PDE4D (0.48) PDE4DPDE4APDE4BPDE4CALOX15
SCHEMBL2297062 0.78 NOTUM (0.51) PDE4DPDE4APDE4BPDE4CALOX15
SCHEMBL17709917 0.76 CES1 (0.41) MLYCDCES1ACHE
SCHEMBL6120781 0.74 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CALOX15
SCHEMBL17711396 0.73 MAPT (0.54) CES1ACHEHTTSMN1; SMN2
SCHEMBL26323147 0.73 CES1 (0.45) MLYCDCES1ACHE
SCHEMBL8848226 0.73 ALOX15 (0.58) MLYCDALOX15GFERADAM17CES1

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 17 patents. 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-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-3354651-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2018-08-01 EP disclosed
CN-107827841-A Trifluoromethyl alcohol as Ror γ t conditioning agents 詹森药业有限公司 2018-03-23 CN disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-9850236-B2 Trifluoromethyl alcohols as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-12-26 US disclosed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
EP-3212643-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt Janssen Pharmaceutica, N.V. (BE) 2017-09-06 EP disclosed
CN-107108599-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2017-08-29 CN disclosed
WO-2016069974-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO 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-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS 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 (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-20160122336-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORC, RORA, RORB PDE4D 1383/4885MLYCD 4800/4885PDE4A 774/4885
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORA, RORC, RORB PDE4D 1849/4885MLYCD 3139/4885PDE4A 1703/4885
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt RORC, RORA, RORB PDE4D 2426/4885MLYCD 3167/4885PDE4A 1918/4885

“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.