SCHEMBL17711245

SCHEMBL17711245

OC(c1ccc(Br)c2ccccc12)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ LMNA P02545 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KCNJ11 Q14654 18/20 0.50
▸ ABCC9 O60706 8/20 0.46
▸ ABCC8 Q09428 8/20 0.46
▸ KCNJ8 Q15842 8/20 0.46

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
SCHEMBL14593291 0.88 KDM4E (0.66) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17716642 0.80 KDM4E (0.40) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL19284577 0.79 IDO1 (0.38) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL14593292 0.79 KDM4E (0.57) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL20428915 0.77 KCNJ11 (0.37) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL18077903 0.77 KDM4E (0.54) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL16852472 0.77 KDM4E (0.54) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL11364196 0.77 KCNJ11 (0.57) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL17711257 0.76 KMT2A (0.49) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL15538116 0.76 RXFP1 (0.42) MEN1MAPTKMT2AALDH1A1LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979630-A Trifluoromethanols as Ror gamma t modulators 詹森药业有限公司 2021-06-18 — — CN disclosed
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
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
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 KDM4E 1927/4885MEN1 4211/4885MAPT 1982/4885
US-20170327492-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF RORyt RORA, RORC, RORB KDM4E 1048/4885MEN1 4262/4885MAPT 3845/4885
US-10150762-B2 Trifluoromethyl alcohols as modulators of RORγt RORC, RORA, RORB KDM4E 843/4885MEN1 4423/4885MAPT 2888/4885

“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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