SCHEMBL305390

SCHEMBL305390

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
CARM1 Q86X55 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EIF2AK2 P19525 1/20 0.35
NLRP3 Q96P20 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK14 Q16539 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.34

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
SCHEMBL303677 0.98 PTGDR2 (0.40) PTGDR2JAK2JAK3CARM1ALOX5
SCHEMBL303566 0.91 PTGDR2 (0.44) PTGDR2JAK2JAK3PTGS2LMNA
SCHEMBL1922173 0.91 AKR1C3 (0.41) PTGDR2LMNASMN1; SMN2MAPK14TP53
SCHEMBL1922138 0.90 LMNA (0.37) PTGDR2JAK2JAK3CARM1LMNA
SCHEMBL305999 0.90 CCNT1 (0.39) PTGDR2JAK2JAK3CCNT1CDK9
SCHEMBL302157 0.90 PTGDR2 (0.39) PTGDR2JAK2JAK3CARM1LMNA
SCHEMBL305142 0.90 MAPK14 (0.38) PTGDR2JAK2JAK3LMNASMN1; SMN2
SCHEMBL302349 0.89 LMNA (0.39) PTGDR2JAK3LMNASMN1; SMN2NLRP3
SCHEMBL302503 0.89 TEAD1 (0.42) PTGDR2SCN9ATP53MAPT
SCHEMBL305283 0.89 CCNT1 (0.40) PTGDR2JAK2JAK3LMNASMN1; SMN2

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 14 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
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-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 PTGDR2 1891/4885JAK2 570/4885JAK3 1093/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PTGDR2 1725/4885JAK2 303/4885JAK3 512/4885

“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.