SCHEMBL1124285

SCHEMBL1124285

CCOC(=O)C(=CNc1ccccc1C(F)(F)F)C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.68
GAA P10253 2/20 0.68
NPSR1 Q6W5P4 5/20 0.64
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 6/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.51
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 1/20 0.48

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
SCHEMBL11403188 0.94 DHODH (0.60) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL995706 0.90 DHODH (0.56) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL995708 0.90 DHODH (0.56) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL2654418 0.88 CYP3A4 (0.61) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL10860162 0.83 DHODH (0.76) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL4154245 0.82 DHODH (0.74) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL10864509 0.81 DHODH (1.00) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL10860150 0.80 DHODH (0.76) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL4147856 0.79 DHODH (0.74) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL20827130 0.79 GPR35 (0.60) GAACYP3A4KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409653-A 8-(Trifluoromethyl)The synthetic method of quinoline-3-carboxylic acid 苏州康润医药有限公司 2018-08-17 CN disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP disclosed
US-4277607-A Process for the preparation of 4-chloroquinolines ROUSSEL UCLAF (FR) 1981-07-07 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 DHODH 1032/4885GAA 1501/4885NPSR1 1030/4885

“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.