SCHEMBL2962885

SCHEMBL2962885

CC1(N2CCN(S(=O)(=O)N3CCOc4ccccc43)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
POLB P06746 3/20 0.45
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 3/20 0.37
PKLR P30613 3/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NAMPT P43490 1/20 0.36
PDK1 Q15118 1/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CA P42336 1/20 0.35
FGB P02675 1/20 0.35
THRB P10828 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL2956651 0.78 PKM (0.55) NPC1POLBNOTUMMAPTPKM
SCHEMBL7343643 0.75 NPC1 (0.59) NPC1POLBNOTUMKMT2AMEN1
SCHEMBL2954553 0.75 L3MBTL1 (0.49) KMT2AMEN1L3MBTL1
SCHEMBL2954376 0.74 NOTUM (0.43) POLBNOTUMMAPTL3MBTL1
SCHEMBL2960552 0.74 AVPR1A (0.35) POLBNOTUMKMT2AMEN1MAPT
SCHEMBL16217090 0.69 NPC1 (0.74) NPC1POLBKMT2AMEN1MAPT
SCHEMBL31599215 0.67 NPC1 (0.50) NPC1POLBNOTUMKMT2AMEN1
SCHEMBL519320 0.66 NOTUM (0.56) NPC1POLBNOTUMKMT2APKM
SCHEMBL29598502 0.66 NOTUM (0.56) NPC1POLBNOTUMKMT2APKM
SCHEMBL25442268 0.66 NPC1 (0.69) NPC1POLBNOTUMKMT2AMEN1

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 NPC1 762/4885POLB 503/4885NOTUM 259/4885

“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.