SCHEMBL2954553

SCHEMBL2954553

CC1(N2CCN(S(=O)(=O)N3CCCc4ccccc43)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ATM Q13315 1/20 0.48
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL2959773 0.78 KMT2A (0.51) L3MBTL1KMT2AMEN1ATMTSHR
SCHEMBL14498366 0.75 L3MBTL1 (0.57) L3MBTL1KMT2AMEN1ATMTSHR
SCHEMBL2960552 0.75 AVPR1A (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2954376 0.75 NOTUM (0.43) L3MBTL1SMN1; SMN2ALDH1A1TP53
SCHEMBL2962885 0.75 NPC1 (0.49) L3MBTL1KMT2AMEN1
SCHEMBL29595267 0.75 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1ATMTSHR
SCHEMBL692761 0.75 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1ATMTSHR
SCHEMBL5261945 0.73 TSHR (0.59) L3MBTL1KMT2AMEN1ATMTSHR
SCHEMBL30866830 0.73 TSHR (0.59) L3MBTL1KMT2AMEN1ATMTSHR
SCHEMBL13311778 0.71 KMT2A (0.60) L3MBTL1KMT2AMEN1ATMTSHR

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 7 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
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 L3MBTL1 4510/4885KMT2A 3335/4885MEN1 2689/4885

“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.