SCHEMBL3917822

SCHEMBL3917822

O=C(O)C1=C(C(=O)N(F)c2ccccc2F)CCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.44
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HCAR2 Q8TDS4 3/20 0.35
NR4A2 P43354 3/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
JMJD7 P0C870 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A3 Q92570 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3916953 0.82 DHODH (0.38) DHODHNPSR1NR4A2
SCHEMBL3919601 0.80 DHODH (0.37) DHODHNPSR1NR4A2JMJD7NR4A1
SCHEMBL3925712 0.77 CES2 (0.38) DHODHNPSR1
SCHEMBL3926228 0.76 DHODH (0.44) DHODHNPSR1NR4A2JMJD7NR4A1
SCHEMBL3918117 0.75 DHODH (0.40) DHODHNPSR1HCAR2TP53
SCHEMBL3914244 0.75 NPC1 (0.39) DHODHNPSR1NR4A2JMJD7NR4A1
SCHEMBL3926127 0.74 DHODH (0.40) DHODHNPSR1NR4A2JMJD7NR4A1
SCHEMBL3914013 0.73 DHODH (0.38) DHODHL3MBTL1NR4A2JMJD7NR4A1
SCHEMBL3349691 0.73 TDP1 (0.42) L3MBTL1
SCHEMBL3918114 0.72 DHODH (0.35) DHODHNPSR1NR4A2FABP4FABP5

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-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
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 1/4885L3MBTL1 4455/4885NPSR1 4091/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885L3MBTL1 4693/4885NPSR1 3836/4885

“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.