SCHEMBL3918110

SCHEMBL3918110

O=C(O)C1=C(C(=O)Nc2ccc(F)cc2F)CCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.70
NR4A2 P43354 7/20 0.60
NR4A1 P22736 2/20 0.60
JMJD7 P0C870 1/20 0.60
NR4A3 Q92570 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 2/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL11680932 0.97 DHODH (0.66) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL11678570 0.96 DHODH (0.64) DHODHNR4A2NR4A1JMJD7NR4A3
Trimethylammonium SCHEMBL11683474 0.92 DHODH (0.60) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL253900 0.86 DHODH (0.80) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL18118644 0.83 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
Lithium Ion SCHEMBL11678567 0.83 DHODH (0.50) DHODHNPC1RAB9APOLBALOX15
SCHEMBL11230520 0.83 DHODH (0.79) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL11230959 0.83 NPSR1 (0.65) DHODHNR4A2NR4A1JMJD7NR4A3
Ammonia Solution, Strong SCHEMBL11680028 0.82 NPSR1 (0.64) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL15473774 0.82 DHODH (0.69) DHODHNR4A2NR4A1JMJD7NR4A3

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
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 800/4885NR4A1 1271/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NR4A2 587/4885NR4A1 959/4885

“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.