SCHEMBL3917072

SCHEMBL3917072

Cc1cccc(S(=O)(=O)N2CCC3(CC2)NCC(=O)N3Cc2ccccc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 4/20 0.39
LMNA P02545 4/20 0.39
PKM P14618 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKLR P30613 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 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
SCHEMBL3927007 0.86 MEN1 (0.42) ALDH1A1GAAKDM4EPOLBTSHR
SCHEMBL3925395 0.85 PKM (0.42) ALDH1A1KDM4EPOLBLMNAPKM
SCHEMBL3919448 0.84 PKM (0.50) ALDH1A1POLBLMNAPKMCYP2D6
SCHEMBL3917077 0.82 PKM (0.38) ALDH1A1KDM4EPOLBPKMMAPK1
SCHEMBL3917070 0.80 ALDH1A1 (0.38) ALDH1A1GAAKDM4EPOLBLMNA
SCHEMBL3925878 0.77 LMNA (0.48) ALDH1A1GAAKDM4EPOLBTSHR
SCHEMBL1804135 0.72 RIPK1 (0.46) ALDH1A1KDM4ETSHRLMNAMAPK1
SCHEMBL1800533 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBLMNANPSR1
SCHEMBL1801131 0.71 RIPK1 (0.41) ALDH1A1KDM4EPOLBLMNANPSR1
SCHEMBL3919260 0.71 SMN1; SMN2 (0.41) ALDH1A1GAAKDM4ETSHRLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP claimed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 WO claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US disclosed
EP-1730144-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5|DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2006-12-13 EP disclosed
WO-2005095398-A1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2005-10-13 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 (1 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 ALDH1A1 199/4885GAA 79/4885KDM4E 2581/4885

“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.