SCHEMBL2950874

SCHEMBL2950874

Cc1cc(OC(S)C(=O)Nc2cccc(C(=O)O)c2)ccc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.47
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MITF O75030 3/20 0.47
PAX8 Q06710 2/20 0.47
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KLF5 Q13887 1/20 0.43

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
SCHEMBL2956601 0.88 ALDH1A1 (0.54) NR1H4NPC1RAB9ASMN1; SMN2MITF
SCHEMBL59705 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL28115910 0.80 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MITFPAX8
SCHEMBL2950872 0.79 NPC1 (0.52) NR1H4NPC1RAB9ASMN1; SMN2MITF
SCHEMBL2960933 0.79 SMN1; SMN2 (0.50) NR1H4NPC1RAB9ASMN1; SMN2MITF
SCHEMBL2947545 0.77 THRB (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL13406087 0.73 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2947575 0.71 MDH1 (0.60) NPC1RAB9ASMN1; SMN2HIF1AEPAS1
SCHEMBL6100713 0.70 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2MITFALDH1A1
SCHEMBL6100718 0.70 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2MITFALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US claimed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US claimed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP claimed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 WO claimed
US-7763656-B2 Use of Acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2010-07-27 US disclosed
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2007-08-30 US disclosed
US-7247741-B2 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2007-07-24 US disclosed
US-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
EP-1525185-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-04-27 EP disclosed
WO-2004009533-A1 ACETYLAMINO BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. (US) 2004-01-29 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-20060167263-A1 Acetylamino benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 NR1H4 3000/4885NPC1 1202/4885RAB9A 2946/4885
US-20070203123-A1 Use of acetylamino benzoic acid compounds for nonsense suppression and the treatment of disease UPF1, NAT10, PABPC1 NR1H4 3167/4885NPC1 1463/4885RAB9A 3119/4885

“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.