SCHEMBL3918043

SCHEMBL3918043

O=C(O)C1=C(C(=O)Nc2ccc(OCc3ccc(F)cc3)cc2)CCC1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.80
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ RXFP1 Q9HBX9 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ NR4A2 P43354 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ PPARA Q07869 3/20 0.50
▸ PRKAA2 P54646 1/20 0.50
▸ S1PR5 Q9H228 1/20 0.48

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
SCHEMBL3914075 0.91 DHODH (0.76) DHODHMEN1KMT2ARXFP1LMNA
SCHEMBL246341 0.89 DHODH (1.00) DHODHMEN1KMT2ARXFP1ALDH1A1
SCHEMBL11574219 0.89 DHODH (0.95) DHODHMEN1KMT2ARXFP1LMNA
SCHEMBL3917321 0.87 DHODH (0.71) DHODHMEN1KMT2ARXFP1LMNA
SCHEMBL11559775 0.87 DHODH (0.78) DHODHMEN1KMT2ARXFP1LMNA
SCHEMBL3914007 0.84 DHODH (0.64) DHODHMEN1KMT2ARXFP1LMNA
SCHEMBL246084 0.82 DHODH (0.71) DHODHNR4A2NPSR1
SCHEMBL3913298 0.80 DHODH (0.67) DHODHNR4A2NPSR1
SCHEMBL3919608 0.80 DHODH (0.78) DHODHMEN1KMT2ARXFP1LMNA
SCHEMBL3915847 0.78 DHODH (0.78) DHODHNR4A2NPC1RAB9ASMN1; SMN2

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 10 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
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 (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 1/4885MEN1 4849/4885KMT2A 2778/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA DHODH 1/4885MEN1 4714/4885KMT2A 2031/4885

“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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