SCHEMBL2960427

SCHEMBL2960427

O=S(=O)(c1cccc2ccccc12)N1CCN(C2(CO)CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CNR1 P21554 7/20 0.52
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TGM2 P21980 1/20 0.47
EPHX2 P34913 1/20 0.47
TP53 P04637 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL2960489 0.81 CCR1 (0.49) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL8564336 0.80 MEN1 (0.83) MEN1KMT2ACNR1MAPTTSHR
SCHEMBL2962437 0.79 KMT2A (0.64) MEN1KMT2ACNR1MAPTTSHR
SCHEMBL13239809 0.78 CCR1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7216688 0.77 KMT2A (0.97) MEN1KMT2ACNR1MAPTTSHR
SCHEMBL6568319 0.76 MEN1 (0.71) MEN1KMT2ACNR1MAPTTSHR
SCHEMBL1063351 0.75 KMT2A (1.00) MEN1KMT2ACNR1MAPTTSHR
SCHEMBL4391751 0.74 CNR1 (0.61) MEN1KMT2ACNR1MAPTTSHR
SCHEMBL14279538 0.73 PKM (0.60) MEN1KMT2ASMN1; SMN2
SCHEMBL8898704 0.72 CNR1 (0.67) MEN1KMT2ACNR1MAPTTSHR

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 MEN1 2689/4885KMT2A 3335/4885CNR1 4280/4885

“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.