SCHEMBL3660192

SCHEMBL3660192

Cc1ccccc1C(=O)CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.72
FEN1 P39748 1/20 0.72
HPGD P15428 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.50
FFAR1 O14842 1/20 0.50
CTNNB1 P35222 2/20 0.49
WNT3A P56704 2/20 0.49
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 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
SCHEMBL8735550 0.89 ERCC5 (0.74) ERCC5FEN1HPGDSMN1; SMN2GAA
SCHEMBL269381 0.84 ERCC5 (0.68) ERCC5FEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL29483365 0.84 ERCC5 (0.68) ERCC5FEN1HPGDSMN1; SMN2L3MBTL1
SCHEMBL8383887 0.83 ERCC5 (0.67) ERCC5FEN1HPGDSMN1; SMN2GAA
SCHEMBL828846 0.82 KMT2A (0.62) ERCC5FEN1SMN1; SMN2GAAKMT2A
SCHEMBL29541385 0.82 KMT2A (0.62) ERCC5FEN1SMN1; SMN2GAAKMT2A
SCHEMBL17867035 0.82 ERCC5 (0.65) ERCC5FEN1HPGDSMN1; SMN2GAA
SCHEMBL30089517 0.80 CTNNB1 (0.68) ERCC5FEN1HPGDL3MBTL1KMT2A
SCHEMBL15979740 0.80 CTNNB1 (0.68) ERCC5FEN1HPGDL3MBTL1KMT2A
SCHEMBL3381401 0.80 MAOA (0.56) ERCC5FEN1HPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103376648-B Photosensitive resin composition, black matrix, color filter and liquid crystal display element CHI MEI CORP. (CN) 2016-03-30 CN disclosed
US-8399483-B2 Quinoxaline and quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2013-03-19 US disclosed
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 WO disclosed
US-7399760-B2 1-(4-Methylsulfanyl-phenyl)-6-phenyl-pyrimidin-2,4-(1H)-dione;cyclooxygenase and prostaglandin inhibitor; tumor necrosis factor and interleukins 1, 6, 8, 12 antagonist; BEXEL PHARMACEUTICALS INC. (US) 2008-07-15 US disclosed
US-20060194799-A1 Novel pyrimidinedione derivatives BEXEL PHARMACEUTICALS INC. (US) 2006-08-31 US disclosed
US-20060111369-A1 Synthesis, characterization and biological action of optically active isomers of floxacins SOMBERG JOHN C 2006-05-25 US disclosed
WO-2006052264-A2 SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL ACTION OF OPTICALLY ACTIVE ISOMERS OF FLOXACINS SOMBERG JOHN CHARIN (US) 2006-05-18 WO disclosed
US-20040009975-A1 Novel pyrimidinedione derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2004-01-15 US disclosed
WO-2003084937-A2 PYRIMIDINEDIONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO disclosed
US-4593118-A 2-amido-3-aminocarboxylic acid esters and process of preparation thereof ETHYL CORPORATION (US) 1986-06-03 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 (3 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-20040009975-A1 Novel pyrimidinedione derivatives TYMS, DPYD, TYMP ERCC5 852/4885FEN1 1157/4885HPGD 228/4885
US-20060111369-A1 Synthesis, characterization and biological action of optically active isomers of floxacins TNNI3, TNNC1, TNNT2 ERCC5 4282/4885FEN1 865/4885HPGD 1481/4885
US-20060194799-A1 Novel pyrimidinedione derivatives TYMS, TYMP, DPYD ERCC5 850/4885FEN1 1600/4885HPGD 207/4885

“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.