SCHEMBL3918252

SCHEMBL3918252

O=C(O)C1=C(C(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2F)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 1.00
NR4A2 P43354 7/20 0.66
NR4A1 P22736 2/20 0.66
JMJD7 P0C870 1/20 0.66
NR4A3 Q92570 1/20 0.66
NR1H4 Q96RI1 1/20 0.66

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
SCHEMBL3917145 0.90 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3925167 0.86 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3918628 0.85 DHODH (0.78) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL18118644 0.85 DHODH (0.83) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3915033 0.83 DHODH (0.71) DHODHNR4A2
SCHEMBL14452166 0.82 DHODH (0.85) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL6756245 0.81 DHODH (0.68) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL31703252 0.80 DHODH (0.76) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3916903 0.80 DHODH (0.74) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL3913959 0.80 DHODH (0.74) 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 7 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
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

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.