SCHEMBL17711301

SCHEMBL17711301

O=C(c1ccc(Br)c(C(F)F)c1F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ HTT P42858 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 0.72 IDO1 (0.35) CES1MAPK1IDO1HTT
SCHEMBL2637233 0.72 ACHE (0.37) CES1MAPK1IDO1HTT
SCHEMBL31283629 0.72 ACHE (0.37) CES1MAPK1IDO1HTT
SCHEMBL2782446 0.72 PLA2G2D (0.41) CES1MAPK1HTT
SCHEMBL1345954 0.72 CES1 (0.44) CES1MAPK1IDO1
SCHEMBL26051885 0.70 CYP1A2 (0.37) CES1
SCHEMBL8743199 0.69 CES1 (0.61) CES1MAPK1HTT
SCHEMBL29679621 0.69 CES1 (0.50) CES1MAPK1HTT
SCHEMBL31198296 0.69 ALOX15 (0.33) —
SCHEMBL16566898 0.69 CES1 (0.50) CES1MAPK1HTT

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 16 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
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
CN-107108599-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2017-08-29 — — CN 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 CES1 653/4885MAPK1 2683/4885IDO1 1305/4885
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORA, RORC, RORB CES1 1006/4885MAPK1 3162/4885IDO1 2624/4885
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt RORC, RORA, RORB CES1 381/4885MAPK1 2891/4885IDO1 1391/4885

“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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