SCHEMBL5176074

SCHEMBL5176074

NC(=O)c1ccsc1C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
PTK2 Q05397 1/20 0.47
MAPK8 P45983 5/20 0.46
MAPK10 P53779 4/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 3/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41

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
SCHEMBL6048186 0.86 GAA (0.49) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL2889862 0.81 MAPT (0.61) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL30511206 0.80 MAPK8 (0.49) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL3979989 0.78 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL3375243 0.76 MAPT (0.55) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL3977005 0.76 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1KMT2AMEN1
Malonic Acid SCHEMBL2887012 0.76 MAPT (0.50) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL11820947 0.72 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1KMT2AMEN1
Hydrochloric Acid SCHEMBL9825967 0.72 KDM4E (0.48) ALDH1A1MAPK1KMT2AMEN1GAA
SCHEMBL20355791 0.72 PTK2 (0.65) ALDH1A1MAPTMAPK1KMT2AMEN1

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
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators ASTEX THERAPEUTICS, LTD. (UK) 2007-09-06 US disclosed
US-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases ASTEX THERAPEUTICS LIMITED (GB) 2007-04-12 US disclosed
EP-1756082-A1 5-MORPHOLINYLMETHYLTHIOPHENYL PHARMACEUTIAL COMPOUNDS AS P38 MAP KINASE MODULATORS Astex Therapeutics Limited (GB) 2007-02-28 EP disclosed
WO-2006040569-A1 THIOPHENE AMIDE COMPOUNDS FOR USE IN THE TREATMENT OR PROPHYLAXIS OF CANCERS ASTEX THERAPEUTICS LIMITED (GB) 2006-04-20 WO disclosed
EP-1615907-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astex Therapeutics Limited (GB) 2006-01-18 EP disclosed
WO-2005100338-A1 5-MORPHOLINYLMETHYLTHIOPHENYL PHARMACEUTIAL COMPOUNDS AS P38 MAP KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-10-27 WO disclosed
WO-2004089929-A1 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTEX THERAPEUTICS LIMITED (GB) 2004-10-21 WO disclosed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US 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-20070082898-A1 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases CNKSR1, NOX5, NOX1 ALDH1A1 3896/4885MAPT 4044/4885MAPK1 19/4885
US-20070208015-A1 5-Morpholinylmethylthiophenyl Pharmaceutical Compounds As P38 MAP Kinase Modulators MAPK1, MAPK3, MAPK10 ALDH1A1 3862/4885MAPT 990/4885MAPK1 1/4885

“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.