SCHEMBL303639

SCHEMBL303639

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 4/20 0.42
POLB P06746 1/20 0.42
RORC P51449 1/20 0.42
AHR P35869 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
SCHEMBL304024 0.93 MAPT (0.43) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL303567 0.93 MAPT (0.43) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL303984 0.91 TP53 (0.44) KDM4EMAPTSMN1; SMN2TP53
SCHEMBL302817 0.90 MAPT (0.47) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL27935541 0.90 MAPT (0.41) PTGDR2KDM4EMEN1KMT2AMAPT
SCHEMBL303250 0.89 MAPT (0.40) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL303971 0.88 EPHX2 (0.43) KDM4EMAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL306403 0.84 POLB (0.51) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL303566 0.83 PTGDR2 (0.44) PTGDR2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL304536 0.81 JAK2 (0.41) PTGDR2KDM4EMEN1KMT2AMAPT

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 15 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
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

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 PTGDR2 1891/4885KDM4E 789/4885MEN1 1202/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PTGDR2 1725/4885KDM4E 1145/4885MEN1 1415/4885

“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.