SCHEMBL2955815

SCHEMBL2955815

N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
GBA1 P04062 2/20 0.59
GAA P10253 2/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.55
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.51
GPR183 P32249 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL1014809 0.83 PKM (0.67) PKMALDH1A1KDM4EGBA1GAA
SCHEMBL28685916 0.82 GAA (0.67) PKMALDH1A1KDM4EGBA1GAA
SCHEMBL14362536 0.81 TSHR (0.68) PKMALDH1A1KDM4EGBA1GAA
SCHEMBL29060777 0.81 ATM (0.67) PKMALDH1A1KDM4EGBA1GAA
SCHEMBL12655862 0.80 PKM (0.63) PKMALDH1A1KDM4EGBA1GAA
SCHEMBL4599905 0.79 PKM (0.62) PKMALDH1A1KDM4EGBA1GAA
SCHEMBL2962429 0.78 MEN1 (0.62) ALDH1A1GBA1GAAMEN1KMT2A
SCHEMBL2960619 0.78 MEN1 (0.62) PKMALDH1A1GBA1GAAMEN1
SCHEMBL2963536 0.77 PKM (0.64) PKMALDH1A1KDM4EGBA1GAA
SCHEMBL18711908 0.77 ATM (0.66) PKMALDH1A1KDM4EGBA1GAA

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-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US claimed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP claimed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO claimed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 US claimed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
US-7759339-B2 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-07-20 US disclosed
EP-1866298-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2007-12-19 EP disclosed
WO-2006105127-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-10-05 WO disclosed
US-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors TAKEDA SAN DIEGO, INC. 2006-10-05 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-20060223829-A1 Hydroxysteroid dehydrogenase inhibitors HSD17B1, HSD17B3, HSD17B2 PKM 1338/4885ALDH1A1 82/4885KDM4E 3234/4885

“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.