SCHEMBL2963536

SCHEMBL2963536

CC1(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ATM Q13315 1/20 0.53
CTDSP1 Q9GZU7 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GBA1 P04062 2/20 0.48
GPR183 P32249 1/20 0.48
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
NR3C1 P04150 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
CCR1 P32246 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42

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 0.81 PKM (0.67) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL2956787 0.80 CCR1 (0.65) HTTGAATSHRCCR1
SCHEMBL14362536 0.79 TSHR (0.68) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL4073820 0.79 PKM (0.58) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL4075441 0.79 PKM (0.55) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL12655862 0.78 PKM (0.63) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL18711908 0.78 ATM (0.66) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL2955815 0.77 PKM (0.63) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL4599905 0.77 PKM (0.62) PKMALDH1A1KDM4EATMCTDSP1
SCHEMBL28685916 0.77 GAA (0.67) PKMALDH1A1KDM4EATMCTDSP1

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 8 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
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.