SCHEMBL246084

SCHEMBL246084

O=C(O)C1=C(C(=O)Nc2ccc(OCc3c(F)cccc3F)cc2)CCC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 17/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NR4A2 P43354 6/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ PARP15 Q460N3 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ NR4A1 P22736 1/20 0.46

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
SCHEMBL3915847 0.92 DHODH (0.78) DHODHNPSR1NR4A2NR4A1
SCHEMBL3913298 0.88 DHODH (0.67) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL3918407 0.86 DHODH (0.71) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL246341 0.83 DHODH (1.00) DHODH
SCHEMBL3918043 0.82 DHODH (0.80) DHODHNPSR1NR4A2
SCHEMBL3914075 0.82 DHODH (0.76) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL3914512 0.82 DHODH (0.89) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL3917321 0.82 DHODH (0.71) DHODHNPSR1NR4A2
SCHEMBL3914007 0.81 DHODH (0.64) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL11574219 0.81 DHODH (0.95) DHODH

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 — — US claimed
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-A1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2016-01-13 — — EP disclosed
EP-2588446-B1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2015-09-09 — — EP disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 — — US disclosed
US-8653138-B2 Calcium salts of compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC MG (DE) 2014-02-18 — — US disclosed
EP-2588446-A1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2013-05-08 — — EP disclosed
EP-2588447-A1 NOVEL SALTS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2013-05-08 — — EP disclosed
US-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-09 — — US disclosed
US-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-09 — — 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
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 (3 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 1/4885NPSR1 4091/4885NR4A2 800/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885NPSR1 3836/4885NR4A2 587/4885
US-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents ARG1, CD14, RXRG DHODH 1882/4885NPSR1 1073/4885NR4A2 125/4885

“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.

Send feedback