SCHEMBL246879

SCHEMBL246879

COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP2C9 P11712 3/20 0.60
CYP1A2 P05177 1/20 0.60
POLB P06746 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 2/20 0.57
TCF4 P15884 1/20 0.55
CTNNB1 P35222 1/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55

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
SCHEMBL13064470 0.88 HDAC3 (0.62) ALDH1A1CYP2C9CYP1A2POLBCYP3A4
SCHEMBL28520637 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL13691837 0.81 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP1A2POLBCYP3A4
SCHEMBL31748788 0.81 ALDH1A1 (0.82) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL3486122 0.81 ALDH1A1 (0.82) ALDH1A1POLBKDM4ELMNAGAA
SCHEMBL13633541 0.80 CYP2C9 (0.61) ALDH1A1CYP2C9CYP1A2POLBCYP3A4
SCHEMBL16048631 0.80 MAPK1 (0.56) ALDH1A1POLBKDM4EHDAC3HDAC4
SCHEMBL29672427 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL5925553 0.79 MAPT (0.72) ALDH1A1CYP2C9TCF4CTNNB1HDAC3
SCHEMBL22079880 0.78 HDAC3 (0.67) ALDH1A1POLBKDM4EHDAC3HDAC4

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-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-28 US disclosed
EP-2588107-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET Takeda Pharmaceutical Company Limited (JP) 2013-05-08 EP disclosed
US-8236818-B2 Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-08-07 US disclosed
US-8236818-B2 Substituted imidazopyridine derivatives as melanocortin-4 receptor antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2012-08-07 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
EP-2313407-A1 cMET INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP disclosed
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 US disclosed
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-12-23 US disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2010-04-15 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
WO-2009080291-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 WO disclosed
WO-2008116665-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-10-02 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 (4 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-20130315895-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET HGF, MET, HGFAC ALDH1A1 3001/4885CYP2C9 4794/4885CYP1A2 4767/4885
US-20100324036-A1 SUBSTITUTED IMIDAZOPYRIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR ANTAGONISTS MC4R, MC5R, MC3R ALDH1A1 3620/4885CYP2C9 4353/4885CYP1A2 4464/4885
US-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT ALDH1A1 3166/4885CYP2C9 579/4885CYP1A2 1101/4885
US-20100093697-A1 Substituted Imidazopyridine Derivatives As Melanocortin-4 Receptor Antagonists MC4R, MC3R, MC5R ALDH1A1 3688/4885CYP2C9 4656/4885CYP1A2 4517/4885

“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.