SCHEMBL12746552

SCHEMBL12746552

CC1(C)OC(=O)C(Cc2ccc(C(F)(F)F)cc2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
BACE1 P56817 1/20 0.55
CES2 O00748 1/20 0.43
PPARG P37231 2/20 0.40
DAO P14920 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD11B1 P28845 1/20 0.36
IDO1 P14902 2/20 0.35
MDM2 Q00987 1/20 0.34
KIF11 P52732 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL16632922 0.82 GLA (0.49) GLANPSR1BACE1DAOTAAR1
SCHEMBL16460894 0.82 GLA (0.67) GLANPSR1BACE1CES2MDM2
SCHEMBL12746561 0.81 GLA (0.69) GLANPSR1DAOMDM2
SCHEMBL9193771 0.80 GLA (0.69) GLANPSR1CES2IDO1MDM2
SCHEMBL15570301 0.79 GLA (0.67) GLANPSR1CES2HSD11B1MDM2
SCHEMBL15647719 0.79 GLA (0.67) GLANPSR1PPARGMDM2KMT2A
SCHEMBL7417047 0.78 GLA (0.66) GLANPSR1CES2MDM2
SCHEMBL5639921 0.77 BACE1 (0.61) GLANPSR1BACE1DAOTAAR1
SCHEMBL9198230 0.76 NPSR1 (0.63) GLANPSR1MDM2KMT2A
SCHEMBL9193307 0.76 GLA (0.63) GLANPSR1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10555941-B2 Alkyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2020-02-11 US disclosed
US-10555941-B2 Alkyl linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2020-02-11 US disclosed
EP-3057421-B1 ALKYL LINKED QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
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-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 US disclosed
US-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 US disclosed
US-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 US disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP disclosed
EP-2801570-A1 Inhibitors of beta-secretase Vitae Pharmaceuticals, Inc. (US) 2014-11-12 EP disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 US disclosed
US-20140200223-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2014-07-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-8633212-B2 Inhibitors of beta-secretase VITAE PHARMACEUTICALS, INC. (US) 2014-01-21 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE VITAE PHARMACEUTICALS, INC. 2011-03-24 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 (5 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-20140200223-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 GLA 46/4885NPSR1 2008/4885BACE1 1/4885
US-20170258782-A1 ALKYL LINKED QUINOLINYL MODULATORS OF RORγt RORC, RORB, RORA GLA 2435/4885NPSR1 160/4885BACE1 1723/4885
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB GLA 2334/4885NPSR1 258/4885BACE1 2116/4885
US-10555941-B2 Alkyl linked quinolinyl modulators of RORγt RORC, RORB, RORA GLA 2435/4885NPSR1 160/4885BACE1 1723/4885
US-20110071126-A1 INHIBITORS OF BETA-SECRETASE BACE1, BACE2, PSEN1 GLA 46/4885NPSR1 2008/4885BACE1 1/4885

“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.