SCHEMBL18711908

SCHEMBL18711908

CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
PKM P14618 1/20 0.64
GPR183 P32249 1/20 0.60
CTDSP1 Q9GZU7 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.53
GBA1 P04062 1/20 0.48
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
SPR P35270 1/20 0.47
RORC P51449 1/20 0.46

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
SCHEMBL29060777 0.87 ATM (0.67) ATMPKMGPR183CTDSP1TDP1
SCHEMBL18711915 0.82 ALDH1A1 (0.64) ATMPKMGPR183CTDSP1TDP1
SCHEMBL18711516 0.81 ALDH1A1 (0.62) ALDH1A1
SCHEMBL1014809 0.81 PKM (0.67) ATMPKMGPR183CTDSP1TDP1
SCHEMBL27238533 0.80 ATM (0.58) ATMPKMGPR183CTDSP1TDP1
SCHEMBL15830167 0.80 ALDH1A1 (0.53) ATMTDP1ALDH1A1HTTGAA
SCHEMBL14362536 0.79 TSHR (0.68) ATMPKMGPR183CTDSP1TDP1
SCHEMBL18711918 0.78 ALDH1A1 (0.67) PKMGPR183TDP1ALDH1A1
SCHEMBL15916798 0.78 GPR183 (0.57) PKMGPR183KDM4EALDH1A1GBA1
SCHEMBL12655862 0.78 PKM (0.63) ATMPKMGPR183CTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ATM 3319/4885PKM 2544/4885GPR183 1543/4885

“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.