SCHEMBL247876

SCHEMBL247876

O=C(O)C1=C(C(=O)Nc2ccc(OCc3ccccc3C(F)(F)F)c(Cl)c2)CCC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 10/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.50
▸ SGMS2 Q8NHU3 1/20 0.46
▸ MRGPRX4 Q96LA9 3/20 0.45
▸ STK39 Q9UEW8 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GRM4 Q14833 1/20 0.43

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
SCHEMBL13743194 0.91 DHODH (0.54) DHODHSGMS2MRGPRX4STK39GRM4
SCHEMBL19417319 0.88 DHODH (0.50) DHODHSGMS2MRGPRX4STK39GRM4
SCHEMBL247030 0.87 DHODH (0.77) DHODHNPSR1MRGPRX4
SCHEMBL248244 0.84 DHODH (0.71) DHODHNPSR1MRGPRX4
SCHEMBL17253572 0.80 DHODH (0.77) DHODHNPSR1MRGPRX4
SCHEMBL247329 0.78 DHODH (1.00) DHODHNPSR1SGMS2
SCHEMBL290914 0.73 DHODH (0.89) DHODHNPSR1SGMS2
SCHEMBL3925201 0.72 EPHX2 (0.60) DHODH
SCHEMBL16239897 0.70 MRGPRX4 (0.62) MRGPRX4
SCHEMBL17254039 0.70 DHODH (0.62) DHODHNPSR1MRGPRX4LMNAGRM4

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 18 patents. 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-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
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-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-09 — — US disclosed
US-20120029034-A1 Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-02 — — US disclosed
US-20120029034-A1 Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents 4SC AG (DE) 2012-02-02 — — US disclosed
WO-2012001148-A1 NOVEL CALCIUM SALTS OF COMPOUND AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2012-01-05 — — WO 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

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-20120029034-A1 Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents PPARD, PPARG, PPARA DHODH 3085/4885NPSR1 779/4885SGMS2 978/4885
US-20120035175-A1 Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents ARG1, CD14, RXRG DHODH 1882/4885NPSR1 1073/4885SGMS2 327/4885

“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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