SCHEMBL3470119

SCHEMBL3470119

O=C(O)C(Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.56
CTBP2 P56545 1/20 0.53
MDM2 Q00987 1/20 0.51
PPARG P37231 3/20 0.49
PPARA Q07869 3/20 0.49
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
NR4A2 P43354 1/20 0.46
LDHA P00338 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 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
SCHEMBL3347144 0.87 KDM6B (0.56) PNMTCTBP2ALDH1A1KMT2AMEN1
SCHEMBL4781067 0.87 PNMT (0.59) PNMTCTBP2MDM2PPARGPPARA
SCHEMBL8592637 0.87 KDM6B (0.56) PNMTCTBP2ALDH1A1KMT2AMEN1
SCHEMBL21895790 0.87 PNMT (0.51) PNMTCTBP2MDM2PPARGPPARA
SCHEMBL5600839 0.85 PNMT (0.50) PNMTPPARGPPARAHCAR2LDHA
SCHEMBL7626979 0.85 PNMT (0.53) PNMTCTBP2PPARGPPARAALDH1A1
SCHEMBL10544621 0.84 MMP8 (0.54) PNMTPPARGPPARAALDH1A1KMT2A
SCHEMBL42994 0.84 SLC7A5 (0.65) PNMT
SCHEMBL298829 0.84 SLC7A5 (0.65) PNMT
SCHEMBL31324842 0.84 PNMT (0.61) PNMTCTBP2PPARGPPARACTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209453-B The quinolyl conditioning agent of the methylene connection of ROR γ T 詹森药业有限公司 2017-06-20 CN disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
CN-105209453-A Methylene linked quinolinyl modulators of ROR-gamma-T JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed
EP-2909192-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica, N.V. (BE) 2015-08-26 EP disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
WO-2014062658-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2014-04-24 WO 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
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
WO-2007028434-A1 NOVEL PYRAZOLOPYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-15 WO disclosed
WO-2006136327-A1 FUNGICIDAL BENZYLPYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-12-28 WO disclosed
US-4329495-A USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES PFIZER INC. (US) 1982-05-11 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-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB PNMT 532/4885CTBP2 3246/4885MDM2 2113/4885

“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.