SCHEMBL3918407

SCHEMBL3918407

O=C(O)C1=C(C(=O)Nc2ccc(OCc3c(Cl)cccc3Cl)cc2)CCC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 15/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NR4A2 P43354 1/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ PARP15 Q460N3 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ ITGA4 P13612 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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) DHODHNPSR1NR4A2NPC1RAB9A
SCHEMBL246084 0.86 DHODH (0.71) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL18418380 0.85 DHODH (0.73) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL246341 0.83 DHODH (1.00) DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL11559775 0.81 DHODH (0.78) DHODHNPSR1NR4A2NPC1RAB9A
SCHEMBL11574219 0.81 DHODH (0.95) DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL290914 0.80 DHODH (0.89) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL247329 0.80 DHODH (1.00) DHODHNPSR1PARP1PARP15PARP10
SCHEMBL4859514 0.79 DHODH (0.55) DHODHNPSR1NR4A2PARP1PARP15
SCHEMBL17253572 0.79 DHODH (0.77) DHODHNPSR1NR4A2PARP1PARP15

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 9 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
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 (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 1/4885NPSR1 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

“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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