SCHEMBL303984

SCHEMBL303984

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BTK Q06187 3/20 0.43
LCK P06239 6/20 0.42
MAPK14 Q16539 4/20 0.42
NR3C1 P04150 1/20 0.42
KDM4E B2RXH2 1/20 0.41
APOB P04114 3/20 0.41
MTTP P55157 3/20 0.41
KDR P35968 4/20 0.41
EPHX2 P34913 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
ABL1 P00519 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
LYN P07948 1/20 0.41
SRC P12931 1/20 0.41
MAPK9 P45984 1/20 0.41
TEK Q02763 1/20 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
SCHEMBL303639 0.91 PTGDR2 (0.44) TP53MAPTSMN1; SMN2KDM4E
SCHEMBL304024 0.90 MAPT (0.43) TP53MAPTSMN1; SMN2KDM4E
SCHEMBL303567 0.90 MAPT (0.43) TP53MAPTSMN1; SMN2MAPK14KDM4E
SCHEMBL303971 0.89 EPHX2 (0.43) MAPTSMN1; SMN2KDM4EEPHX2
SCHEMBL302817 0.87 MAPT (0.47) TP53MAPTSMN1; SMN2KDM4E
SCHEMBL27935541 0.87 MAPT (0.41) TP53MAPTSMN1; SMN2KDM4E
SCHEMBL303250 0.86 MAPT (0.40) TP53MAPTSMN1; SMN2NR3C1KDM4E
SCHEMBL302503 0.84 TEAD1 (0.42) TP53MAPTKDM4ETEAD1TEAD4
SCHEMBL306403 0.82 POLB (0.51) MAPTSMN1; SMN2KDR
SCHEMBL302338 0.79 SCN9A (0.41) TEAD1TEAD4TEAD2KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP claimed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN claimed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US claimed
JP-2012500853-A 2012-01-12 JP claimed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO TP53 618/4885MAPT 4224/4885SMN1; SMN2 3060/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO TP53 662/4885MAPT 4518/4885SMN1; SMN2 3290/4885

“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.