SCHEMBL2027136

SCHEMBL2027136

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
P2RY1 P47900 11/20 0.38
KIF11 P52732 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
ABL1 P00519 3/20 0.36
BCR P11274 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
FPR2 P25090 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
SCHEMBL305999 0.89 CCNT1 (0.39) CCNT1CDK9PTGDR2
SCHEMBL302503 0.89 TEAD1 (0.42) PTGDR2
SCHEMBL303566 0.87 PTGDR2 (0.44) CCNT1CDK9PTGDR2
SCHEMBL305390 0.86 PTGDR2 (0.39) CCNT1CDK9MMP2MMP3PTGDR2
SCHEMBL303677 0.86 PTGDR2 (0.40) CCNT1CDK9PTGDR2
SCHEMBL305142 0.86 MAPK14 (0.38) PTGDR2
SCHEMBL1921905 0.85 TUBB4A (0.42) PTGDR2
SCHEMBL303971 0.85 EPHX2 (0.43) EPHX2P2RY1
SCHEMBL302157 0.84 PTGDR2 (0.39) PTGDR2
SCHEMBL1922138 0.84 LMNA (0.37) PTGDR2

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 13 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
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US 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

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 EPHX2 2211/4885P2RY1 4100/4885KIF11 1114/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO EPHX2 2203/4885P2RY1 4339/4885KIF11 1141/4885

“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.