SCHEMBL2963619

SCHEMBL2963619

O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.71
LMNA P02545 2/20 0.71
USP2 O75604 1/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.69
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
HSD11B1 P28845 1/20 0.65
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64

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
SCHEMBL18134604 0.85 MCOLN3 (0.83) TSHRLMNASMN1; SMN2KMT2AMEN1
SCHEMBL5324383 0.85 HDAC3 (0.66) TSHRLMNAUSP2MAPK1HSD17B10
SCHEMBL335493 0.84 HDAC3 (0.78) TSHRLMNAUSP2MAPK1HSD17B10
SCHEMBL5323547 0.84 HDAC3 (0.68) TSHRLMNAUSP2MAPK1HSD17B10
SCHEMBL12913814 0.84 HDAC3 (0.65) TSHRLMNAUSP2MAPK1HSD17B10
SCHEMBL3210941 0.83 HSD11B1 (0.72) TSHRLMNAUSP2MAPK1HSD17B10
SCHEMBL3223586 0.82 HSD11B1 (0.72) TSHRLMNASMN1; SMN2HSD11B1KMT2A
R-306465 SCHEMBL1663202 0.81 HDAC3 (1.00) TSHRLMNAUSP2MAPK1HSD17B10
R-306465 SCHEMBL31237823 0.81 HDAC3 (1.00) TSHRLMNAUSP2MAPK1HSD17B10
SCHEMBL14170032 0.81 HDAC3 (0.59) TSHRLMNASMN1; SMN2HDAC3HDAC4

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 TSHR 3888/4885LMNA 2965/4885USP2 1201/4885

“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.