SCHEMBL2202846

SCHEMBL2202846

COc1cc(C)c(S(=O)(=O)N2c3ccccc3CC2COCC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 1/20 0.37
RORC P51449 1/20 0.36
NPC1 O15118 1/20 0.35
CCKBR P32239 1/20 0.35
BDKRB1 P46663 2/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAK1 Q16611 1/20 0.34
RECQL P46063 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
SCHEMBL2202849 1.00 TSHR (0.41) TSHRCRHBPCRHR2ALDH1A1LMNA
SCHEMBL3774338 0.92 CCKBR (0.41) CCKBR
SCHEMBL4292766 0.92 CCKBR (0.41) CCKBR
SCHEMBL2203398 0.89 TSHR (0.41) TSHRCRHBPCRHR2ALDH1A1LMNA
SCHEMBL2203339 0.89 TSHR (0.41) TSHRCRHBPCRHR2ALDH1A1LMNA
SCHEMBL10246208 0.86 NPC1 (0.51) ALDH1A1LMNAKMT2ARORCNPC1
SCHEMBL3768441 0.85 TAS2R14 (0.38) BDKRB1
SCHEMBL3768447 0.85 TAS2R14 (0.38) BDKRB1
SCHEMBL3441424 0.84 CCKBR (0.38) CCKBR
SCHEMBL2200120 0.81 TSHR (0.46) TSHRCRHBPCRHR2ALDH1A1LMNA

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 8 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-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
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
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.