SCHEMBL2954376

SCHEMBL2954376

CC1(N2CCN(S(=O)(=O)N3CCSc4ccccc43)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 1/20 0.36
RORC P51449 2/20 0.35
KDM1A O60341 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
SHMT2 P34897 1/20 0.32
CCR1 P32246 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL2960498 0.78 MAPT (0.52) NOTUMKDM4ELMNAHPGDPOLB
SCHEMBL2954553 0.75 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2TP53ALDH1A1
SCHEMBL2962885 0.74 NPC1 (0.49) NOTUML3MBTL1POLBMAPT
SCHEMBL2960552 0.74 AVPR1A (0.35) NOTUMSMN1; SMN2POLBALDH1A1MAPT
SCHEMBL31371562 0.69 MAPT (0.59) NOTUMRORCLMNAGAASMN1; SMN2
SCHEMBL5472899 0.63 RORC (0.50) RORCLMNAALDH1A1
SCHEMBL2956787 0.63 CCR1 (0.65) LMNAGAAPOLBMAPK1CCR1
SCHEMBL3969979 0.63 NOTUM (0.56) NOTUMKDM4ELMNAHPGDL3MBTL1
SCHEMBL3315465 0.63 NOTUM (0.51) NOTUMKDM4ELMNAHPGDL3MBTL1
SCHEMBL12723458 0.63 KMT2A (0.40) NOTUMKDM4ERORCLMNASMN1; SMN2

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 NOTUM 259/4885KDM4E 3234/4885RORC 841/4885

“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.