SCHEMBL484534

SCHEMBL484534

N#Cc1ccccc1S(=O)(=O)N1CCC2(CCN(C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
AR P10275 6/20 0.39
ALDH1A1 P00352 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKLR P30613 1/20 0.37
SPTLC2 O15270 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
KCNA5 P22460 1/20 0.35

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
SCHEMBL485150 0.96 ATM (0.41) ATMARALDH1A1TAS1R3TAS1R1
SCHEMBL485172 0.86 CACNA1B (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484329 0.86 TAS1R3 (0.42) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL485953 0.84 ATM (0.39) ATMARCTDSP1TDP1L3MBTL1
SCHEMBL485173 0.84 ALDH1A1 (0.44) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484550 0.83 AR (0.47) ARALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484473 0.83 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL485102 0.82 NAMPT (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL484732 0.82 CYP3A4 (0.48) ALDH1A1
SCHEMBL485067 0.82 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2

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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO claimed
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 ATM 1414/4885AR 219/4885ALDH1A1 2086/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ATM 1414/4885AR 219/4885ALDH1A1 2086/4885

“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.