SCHEMBL302886

SCHEMBL302886

Cc1ccc(Nc2cccc3c2CCN(S(C)(=O)=O)C3)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.41
CTSL P07711 5/20 0.41
CARM1 Q86X55 3/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
CYP19A1 P11511 2/20 0.36
LIPG Q9Y5X9 1/20 0.35
RAB9A P51151 1/20 0.35
CHRNA7 P36544 2/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL2029733 0.91 CARM1 (0.44) CARM1PTGDR2CYP19A1
SCHEMBL302357 0.88 ERBB2 (0.37) JAK2JAK3HTTUSP2MAPT
SCHEMBL304003 0.86 PTGDR2 (0.39) CARM1JAK2JAK3PTGDR2HTT
SCHEMBL303355 0.82 JAK2 (0.37) JAK2JAK3PTGDR2HTTUSP2
SCHEMBL303677 0.81 PTGDR2 (0.40) CARM1JAK2JAK3PTGDR2MAPT
SCHEMBL305390 0.79 PTGDR2 (0.39) CARM1JAK2JAK3PTGDR2MAPT
SCHEMBL1921909 0.79 JAK2 (0.36) CARM1JAK2JAK3PTGDR2
SCHEMBL303567 0.77 MAPT (0.43) CARM1USP2MAPTRAB9A
SCHEMBL302157 0.77 PTGDR2 (0.39) CARM1JAK2JAK3PTGDR2RAB9A
SCHEMBL303642 0.77 JAK2 (0.39) CARM1JAK2JAK3PTGDR2

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 16 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-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
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 CTSV 3949/4885CTSL 4739/4885CARM1 473/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CTSV 3922/4885CTSL 4750/4885CARM1 824/4885

“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.