SCHEMBL3924899

SCHEMBL3924899

COc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 15/20 0.65
NR4A2 P43354 2/20 0.64
PLAU P00749 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
JMJD7 P0C870 1/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
PARP1 P09874 1/20 0.50
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50

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
SCHEMBL3924512 0.84 DHODH (0.72) DHODHNR4A2PLAUPOLBJMJD7
SCHEMBL3924601 0.83 DHODH (0.78) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3926145 0.83 DHODH (0.82) DHODHNR4A2KDM4EMAPTPOLB
SCHEMBL252179 0.81 DHODH (0.83) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL249278 0.81 DHODH (0.69) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924749 0.81 DHODH (0.72) DHODHNR4A2PLAUJMJD7NR4A1
SCHEMBL249112 0.80 DHODH (1.00) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL3915577 0.78 DHODH (0.62) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL31244586 0.78 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3990108 0.78 DHODH (0.73) DHODHNR4A2POLBJMJD7NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392642-B1 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-09 EP disclosed
EP-2093214-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2009-08-26 EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US disclosed
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-09-07 US disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 US disclosed
WO-2003006425-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2003-01-23 WO 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 (2 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-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, GCDH DHODH 1/4885NR4A2 800/4885PLAU 3660/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NR4A2 587/4885PLAU 3553/4885

“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.