SCHEMBL3914873

SCHEMBL3914873

N#Cc1cccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.70
NR4A2 P43354 3/20 0.61
PARP1 P09874 1/20 0.51
PARP15 Q460N3 1/20 0.51
PARP10 Q53GL7 1/20 0.51
HTT P42858 1/20 0.49
SLC2A1 P11166 1/20 0.48
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
JMJD7 P0C870 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
PLAU P00749 1/20 0.47

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
SCHEMBL3924600 0.87 DHODH (0.72) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL253865 0.85 DHODH (0.64) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL3924656 0.84 DHODH (0.65) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3917248 0.84 DHODH (0.72) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL249112 0.83 DHODH (1.00) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL3917240 0.82 DHODH (0.69) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL12700421 0.81 DHODH (0.60) DHODHPARP1PARP15PARP10HTT
SCHEMBL3990108 0.81 DHODH (0.73) DHODHNR4A2PARP1PARP15PARP10
SCHEMBL6168448 0.79 ATR (0.52) DHODH
SCHEMBL3917947 0.78 DHODH (0.68) 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 6 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
US-20030203951-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2003-10-30 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 (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.