SCHEMBL3918366

SCHEMBL3918366

O=C(O)C1=C(C(=O)Nc2cccc(C(F)(F)F)c2)CCC1

nearest known ligand 0.95

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.61
PARP15 Q460N3 1/20 0.61
PARP10 Q53GL7 1/20 0.61
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.60
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
KCNK3 O14649 1/20 0.57
DHODH Q02127 1/20 0.56
P2RX1 P51575 1/20 0.56
EPHX2 P34913 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
PTGS1 P23219 1/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL27606568 0.88 MAPT (0.51) PARP1PARP15PARP10MAPTLMNA
SCHEMBL3924433 0.87 LMNA (0.60) PARP1PARP15PARP10MAPTLMNA
SCHEMBL3914850 0.84 DHODH (0.64) PARP1PARP15PARP10LMNARAB9A
SCHEMBL10797563 0.84 LMNA (0.64) PARP1PARP15PARP10MAPTLMNA
SCHEMBL3915670 0.80 DHODH (0.81) PARP1PARP15PARP10RAB9AKMT2A
SCHEMBL3914420 0.79 MLYCD (0.58) LMNARAB9AKMT2AMEN1
SCHEMBL3914445 0.78 LMNA (0.67) LMNARAB9ADHODH
SCHEMBL8461120 0.78 MAPT (0.75) MAPTLMNARAB9AKMT2AMEN1
SCHEMBL4683413 0.78 KCNK3 (0.88) MAPTLMNARAB9AKMT2AMEN1
SCHEMBL3916846 0.77 LMNA (0.70) PARP1PARP15PARP10LMNADHODH

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 13 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
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-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
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 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.