SCHEMBL3990108

SCHEMBL3990108

CC(=O)c1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.73
NR4A2 P43354 3/20 0.67
PARP1 P09874 1/20 0.60
PARP15 Q460N3 1/20 0.60
PARP10 Q53GL7 1/20 0.60
JMJD7 P0C870 1/20 0.51
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3926481 0.87 PARP1 (0.77) DHODHPARP1PARP15PARP10KMT2A
SCHEMBL249112 0.85 DHODH (1.00) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL3915164 0.83 DHODH (0.76) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3914873 0.81 DHODH (0.70) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL31244586 0.80 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3919682 0.80 DHODH (0.73) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3917947 0.80 DHODH (0.68) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL3914856 0.78 DHODH (0.69) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL248265 0.78 DHODH (0.76) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924899 0.78 DHODH (0.65) DHODHNR4A2PARP1PARP15PARP10

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 10 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
CN-1525954-A Novel compounds useful as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC�ɷݹ�˾ 2004-09-01 CN disclosed
EP-1392642-A2 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-03-03 EP disclosed
WO-2003006425-A9 NOVEL COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-02-26 WO 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 800/4885PARP1 2347/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NR4A2 587/4885PARP1 2782/4885

“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.