SCHEMBL3924512

SCHEMBL3924512

COc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 12/20 0.72
▸ NR4A2 P43354 2/20 0.65
▸ JMJD7 P0C870 1/20 0.55
▸ NR4A1 P22736 1/20 0.55
▸ NR4A3 Q92570 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ PLAU P00749 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ P4HTM Q9NXG6 1/20 0.50

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
SCHEMBL3915685 0.92 DHODH (0.60) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL246019 0.86 DHODH (0.59) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL252550 0.85 DHODH (0.73) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924749 0.85 DHODH (0.72) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3926504 0.85 DHODH (0.79) DHODHNR4A2SMN1; SMN2TP53
SCHEMBL20673162 0.84 DHODH (0.63) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924899 0.84 DHODH (0.65) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL249112 0.84 DHODH (1.00) DHODHNR4A2
SCHEMBL3915033 0.83 DHODH (0.71) DHODHNR4A2MEN1KMT2A
SCHEMBL3915577 0.82 DHODH (0.62) DHODHNR4A2JMJD7NR4A1NR4A3

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 800/4885JMJD7 1570/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NR4A2 587/4885JMJD7 1086/4885

“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.

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