SCHEMBL5228411

SCHEMBL5228411

CC(=O)Oc1ccc(NC(=O)CCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
RNF4 P78317 1/20 0.61
HTT P42858 6/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
MITF O75030 2/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NOD2 Q9HC29 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 5/20 0.53
PRMT1 Q99873 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAP2K7 O14733 1/20 0.49
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL11022210 0.84 GAA (0.65) GAAHTTTSHRHSD17B10RAB9A
SCHEMBL6073513 0.83 GAA (0.63) GAAHTTTSHRHSD17B10RAB9A
SCHEMBL6905913 0.83 GAA (0.63) GAAHTTTSHRHSD17B10RAB9A
SCHEMBL1289638 0.82 L3MBTL1 (0.69) RNF4HTTRAB9ANPC1MITF
SCHEMBL11806908 0.82 RNF4 (0.86) GAARNF4HTTRAB9ANPC1
SCHEMBL863079 0.81 HPGD (0.63) GAAHTTTSHRHSD17B10RAB9A
SCHEMBL31362602 0.81 TP53 (0.64) GAAHTTTSHRHSD17B10RAB9A
SCHEMBL9081388 0.81 NPC1 (0.76) RNF4HTTRAB9ANPC1MITF
SCHEMBL6900834 0.80 GAA (0.60) GAAHTTTSHRHSD17B10RAB9A
SCHEMBL5903996 0.80 ALDH1A1 (0.67) GAARNF4HTTTSHRHSD17B10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 US disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 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 (3 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-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 GAA 2357/4885RNF4 4226/4885HTT 4560/4885
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 GAA 1522/4885RNF4 4382/4885HTT 4523/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 GAA 1522/4885RNF4 4382/4885HTT 4523/4885

“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.