SCHEMBL3926481

SCHEMBL3926481

CC(=O)c1cccc(NC(=O)C2=C(C(=O)O)CCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.77
PARP15 Q460N3 1/20 0.77
PARP10 Q53GL7 1/20 0.77
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
DHODH Q02127 1/20 0.58
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL3990108 0.87 DHODH (0.73) PARP1PARP15PARP10NPC1RAB9A
SCHEMBL3915670 0.82 DHODH (0.81) PARP1PARP15PARP10NPC1RAB9A
SCHEMBL7500312 0.79 KMT2A (0.84) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL8762690 0.79 DHODH (0.76) PARP1PARP15PARP10DHODHPOLB
SCHEMBL3915842 0.79 PARP1 (0.60) PARP1PARP15PARP10NPC1RAB9A
SCHEMBL3914856 0.78 DHODH (0.69) PARP1PARP15PARP10NPC1RAB9A
SCHEMBL3915164 0.78 DHODH (0.76) DHODH
SCHEMBL5974770 0.77 KMT2A (0.73) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL13210704 0.77 KMT2A (0.81) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL3914845 0.77 PARP1 (0.61) PARP1PARP15PARP10NPC1RAB9A

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-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 PARP1 2347/4885PARP15 1803/4885PARP10 1408/4885
US-20060199856-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents DHODH, DLD, HADHA PARP1 2782/4885PARP15 1934/4885PARP10 1653/4885

“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.