SCHEMBL501743

SCHEMBL501743

COc1ccccc1-c1cc(F)c(NC(=O)C2=C(C(=O)O)CCC2)c(F)c1

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 0.86
JMJD7 P0C870 1/20 0.54
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
NR1H4 Q96RI1 1/20 0.54

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
SCHEMBL251960 0.88 DHODH (0.79) DHODHNR4A2
SCHEMBL253507 0.88 DHODH (0.78) DHODHNR4A2
SCHEMBL3914908 0.87 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL502677 0.87 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL245748 0.87 DHODH (0.77) DHODHNR4A2
SCHEMBL254108 0.86 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL252035 0.83 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL503380 0.83 DHODH (1.00) DHODHNR4A2
SCHEMBL3924727 0.82 DHODH (0.84) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL249278 0.81 DHODH (0.69) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 US claimed
US-10646478-B2 Methods for treatment of melanoma CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-05-12 US disclosed
US-20190117635-A1 METHODS FOR TREATMENT OF MELANOMA CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-04-25 US disclosed
US-10016402-B2 Methods for treatment of melanoma CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-07-10 US disclosed
US-10016402-B2 Methods for treatment of melanoma CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-07-10 US disclosed
EP-2966058-B1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2017-10-04 EP disclosed
EP-2966058-B1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2017-10-04 EP disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
EP-2966058-A1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2016-01-13 EP disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US disclosed
US-7423057-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2008-09-09 US 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-7176241-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2007-02-13 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
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 (6 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
US-10646478-B2 Methods for treatment of melanoma DHODH, ALDH1A2, DLD DHODH 1/4885NR4A2 2334/4885JMJD7 1770/4885
US-20190117635-A1 METHODS FOR TREATMENT OF MELANOMA DHODH, ALDH1A2, DLD DHODH 1/4885NR4A2 2334/4885JMJD7 1770/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH DHODH 1/4885NR4A2 2728/4885JMJD7 2925/4885
US-10016402-B2 Methods for treatment of melanoma DHODH, ALDH1A2, DLD DHODH 1/4885NR4A2 2334/4885JMJD7 1770/4885

“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.