SCHEMBL484462

SCHEMBL484462

O=C(O)c1ccc2c(c1)C(NS(=O)(=O)c1cccc(Cl)c1Cl)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TBXA2R P21731 1/20 0.39
WDR5 P61964 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
KCNA5 P22460 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTK2B Q14289 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC6A4 P31645 2/20 0.38
ITGAV P06756 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37

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
SCHEMBL484940 1.00 CYP1A2 (0.46) CYP1A2TBXA2RWDR5TAS1R3TAS1R1
SCHEMBL784576 0.91 CYP1A2 (0.50) CYP1A2TBXA2RTAS1R3TAS1R1HDAC8
SCHEMBL484854 0.91 CYP1A2 (0.50) CYP1A2TBXA2RTAS1R3TAS1R1HDAC8
SCHEMBL484509 0.89 KCNA5 (0.44) CYP1A2TAS1R3TAS1R1HDAC8KCNA5
SCHEMBL484507 0.89 KCNA5 (0.44) CYP1A2TAS1R3TAS1R1HDAC8KCNA5
SCHEMBL2818105 0.88 CYP1A2 (0.48) CYP1A2TBXA2RTAS1R3TAS1R1HDAC8
SCHEMBL2822028 0.85 CYP1A2 (0.59) CYP1A2TBXA2RTAS1R3TAS1R1KCNA5
SCHEMBL784591 0.84 CYP1A2 (0.50) CYP1A2WDR5TAS1R3TAS1R1HDAC8
SCHEMBL786013 0.84 CYP1A2 (0.50) CYP1A2WDR5TAS1R3TAS1R1HDAC8
SCHEMBL2822023 0.83 MAPK1 (0.52) CYP1A2HDAC8MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP1A2 3400/4885TBXA2R 34/4885WDR5 1762/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP1A2 3400/4885TBXA2R 34/4885WDR5 1762/4885

“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.