SCHEMBL2957007

SCHEMBL2957007

CC1(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PKM P14618 3/20 0.54
PKLR P30613 2/20 0.54
ALDH1A1 P00352 3/20 0.49
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
CCR6 P51684 3/20 0.47
HSD11B1 P28845 1/20 0.46
EPHX2 P34913 1/20 0.45
GBA1 P04062 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL16627264 0.81 ATM (0.63) GAAL3MBTL1PKMPKLRUSP2
SCHEMBL2959205 0.80 TRPV4 (0.50) CYP3A4HSD11B1
SCHEMBL13271173 0.79 USP2 (0.62) GAAL3MBTL1PKMPKLRALDH1A1
SCHEMBL3633792 0.78 USP2 (0.71) GAAL3MBTL1PKMPKLRALDH1A1
SCHEMBL18711912 0.77 KMT2A (0.58) GAAL3MBTL1PKMPKLRALDH1A1
SCHEMBL15231766 0.76 MAPT (0.65) GAAL3MBTL1PKMPKLRALDH1A1
SCHEMBL13993549 0.76 MEN1 (0.69) GAAL3MBTL1PKMPKLRALDH1A1
SCHEMBL2299329 0.75 KDM4E (0.71) GAAL3MBTL1PKMPKLRALDH1A1
SCHEMBL5338240 0.75 POLB (0.67) GAAL3MBTL1PKMPKLRALDH1A1
Hydrochloric Acid SCHEMBL3246796 0.75 MAPT (0.63) GAAL3MBTL1PKMPKLRALDH1A1

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
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 GAA 455/4885L3MBTL1 4510/4885PKM 1338/4885

“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.