SCHEMBL4883852

SCHEMBL4883852

COc1ccc2onc(-c3ccc(C(=O)O)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 3/20 0.47
CHEK1 O14757 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PDE3A Q14432 1/20 0.45
NR4A2 P43354 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL1675397 0.90 RXRA (0.49) RXRACA1CA2ESR1ESR2
SCHEMBL1675499 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL4885290 0.81 ESR1 (0.49) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL1675349 0.79 RXRA (0.49) RXRAESR1ESR2KDM4EPDE3A
SCHEMBL25353593 0.77 IP6K1 (0.56) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL31265141 0.77 IP6K1 (0.56) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL1675512 0.76 ALDH1A1 (0.47) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL28346785 0.75 ALDH1A1 (0.58) CA1CA2ESR1ESR2ALDH1A1
SCHEMBL28347275 0.75 APP (0.52) ESR1ESR2PTGS1PTGS2PDE3A
SCHEMBL25353360 0.75 NPC1 (0.56) CA1CA2ESR1ESR2ALDH1A1

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 RXRA 1992/4885CA1 4648/4885CA2 4487/4885

“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.