SCHEMBL2203398

SCHEMBL2203398

COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2COCC(=O)O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGIR P43119 3/20 0.38
MCL1 Q07820 2/20 0.37
BAK1 Q16611 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
PTGDR Q13258 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL2203339 1.00 TSHR (0.41) TSHRCRHBPCRHR2KMT2ARORC
SCHEMBL3441682 0.90 PSEN1 (0.42) TSHRKMT2ALMNAPOLBMAPT
SCHEMBL700119 0.90 PSEN1 (0.42) TSHRKMT2ALMNAPOLBMAPT
SCHEMBL2202846 0.89 TSHR (0.41) TSHRCRHBPCRHR2KMT2ARORC
SCHEMBL2202849 0.89 TSHR (0.41) TSHRCRHBPCRHR2KMT2ARORC
SCHEMBL12162073 0.85 NPC1 (0.50) TSHRCRHBPCRHR2KMT2ALMNA
SCHEMBL2200125 0.84 TSHR (0.46) TSHRCRHBPCRHR2KMT2ARORC
SCHEMBL2200120 0.84 TSHR (0.46) TSHRCRHBPCRHR2KMT2ARORC
SCHEMBL3763639 0.84 TAS2R14 (0.42) LMNAPTGIRMAPT
SCHEMBL2572135 0.84 TAS2R14 (0.42) LMNAPTGIRMAPT

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
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
US-20090298812-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-12-03 US disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN TSHR 477/4885CRHBP 1669/4885CRHR2 912/4885
US-20090298812-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 TSHR 1681/4885CRHBP 1866/4885CRHR2 728/4885

“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.