SCHEMBL2950520

SCHEMBL2950520

COC(=O)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.65
CNR1 P21554 6/20 0.59
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PKM P14618 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL17387550 0.86 ROCK2 (0.65) EPHX2MEN1KMT2A
SCHEMBL3974715 0.83 EPHX2 (0.65) EPHX2CNR1HDAC3HDAC4HDAC1
SCHEMBL13599035 0.80 MEN1 (0.64) EPHX2CNR1HDAC3HDAC4HDAC1
SCHEMBL14919477 0.80 MEN1 (0.68) EPHX2CNR1HDAC3HDAC4HDAC1
SCHEMBL7306841 0.80 AKR1C3 (0.62) EPHX2CNR1HDAC3HDAC4HDAC1
SCHEMBL2962513 0.79 HSD17B10 (0.55) EPHX2CNR1HDAC3HDAC4HDAC1
SCHEMBL2962589 0.79 MEN1 (0.62) EPHX2CNR1HDAC3HDAC4HDAC1
SCHEMBL12101129 0.79 PKM (0.75) EPHX2MEN1KMT2APKMALDH1A1
SCHEMBL2956622 0.79 MEN1 (0.58) EPHX2CNR1HDAC3HDAC4HDAC1
SCHEMBL8564336 0.78 MEN1 (0.83) EPHX2CNR1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPHX2 407/4885CNR1 4280/4885HDAC3 725/4885

“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.