SCHEMBL4882064

SCHEMBL4882064

COC(=O)c1cccc(-c2nc3cc(N4CCCC4)ccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 2/20 0.51
PTPN2 P17706 2/20 0.51
PTPN1 P18031 2/20 0.51
PTPN5 P54829 2/20 0.51
HSPE1 P61604 2/20 0.51
S1PR1 P21453 6/20 0.51
MAPT P10636 6/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
GPR119 Q8TDV5 1/20 0.49
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
S1PR3 Q99500 3/20 0.48
HDAC6 Q9UBN7 3/20 0.46
UTRN P46939 1/20 0.45
ACACB O00763 1/20 0.45

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
SCHEMBL1675431 0.87 KDM4E (0.54) HSPD1HSPE1S1PR1KDM4EALDH1A1
SCHEMBL14020915 0.85 MAPT (0.48) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL23012339 0.83 HDAC6 (0.46) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL29479594 0.83 HDAC6 (0.46) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL16399885 0.80 HSPD1 (0.56) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL4885296 0.80 HDAC6 (0.61) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL28605620 0.80 KDM4E (0.74) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL31247990 0.80 KDM4E (0.74) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL1675519 0.78 MEN1 (0.54) S1PR1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL1675276 0.78 GPR119 (0.53) HSPD1PTPN2PTPN1PTPN5HSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. (US) 2008-10-30 US disclosed
EP-1812071-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, USE OF THESE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-08-01 EP disclosed
WO-2006044503-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, USE OF THESE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (1 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-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, NSUN2, RNMT HSPD1 1387/4885PTPN2 2878/4885PTPN1 2586/4885

“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.