SCHEMBL6811281

SCHEMBL6811281

CC1(C)OC(=O)C(Cc2cccc(C#N)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TRPA1 O75762 1/20 0.43
ABCB1 P08183 1/20 0.43
IDH1 O75874 1/20 0.40
PGR P06401 1/20 0.39
MAOB P27338 2/20 0.39
NSD2 O96028 1/20 0.38
GRM5 P41594 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
DAO P14920 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MDM2 Q00987 1/20 0.37
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
PARG Q86W56 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL6445465 0.82 GLA (0.61) GLANPSR1TRPA1ABCB1MAOB
SCHEMBL16645282 0.78 GLA (0.52) GLANPSR1MDM2
SCHEMBL3088858 0.78 GLA (0.52) GLANPSR1TRPA1MAOBDAO
SCHEMBL15648921 0.78 GLA (0.52) GLANPSR1MAOBDAOMDM2
SCHEMBL7417047 0.77 GLA (0.66) GLANPSR1MDM2
SCHEMBL2673218 0.75 GLA (0.42) GLATRPA1IDH1MAOBDAO
SCHEMBL16632922 0.75 GLA (0.49) GLANPSR1DAOHTR2B
SCHEMBL3093178 0.74 GLA (0.58) GLANPSR1ABCB1GRM5FFAR1
SCHEMBL1499445 0.73 GLA (0.45) GLATRPA1IDH1MAOBFFAR1
SCHEMBL8958986 0.73 GLA (0.57) GLANPSR1MAOBDAOMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-6759384-B1 LOW MOLECULAR WEIGHT ANTICOAGULANTS WITHOUT SIDE EFFECTS; DERIVATIVES OF AT LEAST PROLINE, LEUCINE AND ARGININE SEQUENCE AVENTIS PHARMACEUTICALS INC. 2004-07-06 US disclosed
EP-0758341-B1 FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2004-03-24 EP disclosed
EP-1384725-A2 Factor Xa inhibitors Aventis Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-5849510-A Factor Xa inhibitors SELECTIDE CORPORATION (US) 1998-12-15 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-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB GLA 2334/4885NPSR1 258/4885TRPA1 1197/4885

“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.