SCHEMBL3915453

SCHEMBL3915453

CCc1ccc(S(=O)(=O)N2CCC3(CC2)NC(Cc2ccccc2)C(=O)N3Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CXCR3 P49682 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3917724 0.92 CYP2D6 (0.51) TSHRGAAHTTSMN1; SMN2CYP2D6
SCHEMBL3925408 0.91 SMN1; SMN2 (0.48) TSHRGAAHTTSMN1; SMN2CYP2D6
SCHEMBL3919576 0.90 MMP2 (0.51) HSD11B1TSHRGAAHTTSMN1; SMN2
SCHEMBL3920468 0.90 HSD11B1 (0.46) HSD11B1TSHRGAAHTTSMN1; SMN2
SCHEMBL3915181 0.89 LMNA (0.55) HSD11B1TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL3918144 0.87 MMP2 (0.53) TSHRGAAHTTSMN1; SMN2CYP2D6
SCHEMBL3915497 0.84 CYP2D6 (0.50) TSHRGAASMN1; SMN2CYP2D6ALDH1A1
SCHEMBL3925412 0.84 ALDH1A1 (0.46) TSHRGAAHTTSMN1; SMN2CYP2D6
SCHEMBL3918411 0.84 MEN1 (0.49) TSHRGAASMN1; SMN2USP2ALDH1A1
SCHEMBL3925883 0.83 CXCR3 (0.39) HSD11B1TSHRGAAHTTSMN1; SMN2

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 6 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
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

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 HSD11B1 1094/4885TSHR 1408/4885GAA 79/4885

“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.