SCHEMBL16632922

SCHEMBL16632922

CC1(C)OC(=O)C(Cc2cccc(C(F)(F)F)c2)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BACE1 P56817 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
ACP3 P15309 1/20 0.42
DAO P14920 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MIF P14174 1/20 0.41
IDO1 P14902 2/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL12746552 0.82 GLA (0.61) GLANPSR1BACE1DAOTAAR1
SCHEMBL3088858 0.81 GLA (0.52) GLANPSR1DAOTAAR1MIF
SCHEMBL29213961 0.79 BACE1 (0.52) BACE1ACP3MIFMAPTHTT
SCHEMBL15648921 0.78 GLA (0.52) GLANPSR1DAOTAAR1IDO1
SCHEMBL9062729 0.78 GLA (0.52) GLANPSR1ABHD6
SCHEMBL7417047 0.77 GLA (0.66) GLANPSR1HTT
SCHEMBL15181778 0.76 DAO (0.43) BACE1HTR2AHTR2CHTR2BACP3
SCHEMBL14161707 0.76 PNMT (0.41) BACE1HTR2AHTR2CHTR2BACP3
SCHEMBL9591525 0.75 ACP3 (0.46) HTR2AHTR2CHTR2BACP3DAO
SCHEMBL6811281 0.75 GLA (0.49) GLANPSR1HTR2BDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3560920-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T Janssen Pharmaceutica NV (BE) 2019-10-30 EP disclosed
EP-3057949-B1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP disclosed
US-9221804-B2 Secondary alcohol quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2015-12-29 US disclosed
US-9221804-B2 Secondary alcohol quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2015-12-29 US disclosed
US-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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 (1 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-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB GLA 2486/4885NPSR1 214/4885BACE1 3029/4885

“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.