SCHEMBL1921896

SCHEMBL1921896

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
AKR1C3 P42330 4/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
LMNA P02545 3/20 0.36
MAPK14 Q16539 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
SYK P43405 1/20 0.35
BTK Q06187 1/20 0.35
RORC P51449 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1922173 0.92 AKR1C3 (0.41) PTGDR2AKR1C3MAPTTHRBLMNA
SCHEMBL302349 0.92 LMNA (0.39) PTGDR2AKR1C3MAPTTHRBLMNA
SCHEMBL1921905 0.90 TUBB4A (0.42) PTGDR2AKR1C3MAPTTHRBLMNA
SCHEMBL302304 0.90 CCNT1 (0.42) PTGDR2AKR1C3MAPTTHRBCCNT1
SCHEMBL27950029 0.89 PTGDR2 (0.37) PTGDR2AKR1C3CCNT1CDK9LMNA
SCHEMBL305390 0.88 PTGDR2 (0.39) PTGDR2MAPTCCNT1CDK9LMNA
SCHEMBL303677 0.88 PTGDR2 (0.40) PTGDR2MAPTCCNT1CDK9LMNA
SCHEMBL302157 0.87 PTGDR2 (0.39) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL303945 0.87 MAPK14 (0.43) PTGDR2CCNT1CDK9MAPK14
SCHEMBL303566 0.87 PTGDR2 (0.44) PTGDR2MAPTCCNT1CDK9LMNA

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 17 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
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
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-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-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
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 1891/4885AKR1C3 4540/4885MAPT 4224/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PTGDR2 1725/4885AKR1C3 4661/4885MAPT 4518/4885

“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.