SCHEMBL2955870

SCHEMBL2955870

O=S(=O)(c1cnc(O)c2ccccc12)N1CC[C@@H](N2CCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
LMNA P02545 1/20 0.40
CCR1 P32246 5/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 2/20 0.39
COMT P21964 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36
TP53BP1 Q12888 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2955872 1.00 HSD11B1 (0.43) HSD11B1KDM4EGAAALOX5APFEN1
SCHEMBL2949904 0.86 HSD11B1 (0.43) HSD11B1KDM4EGAAALOX5APFEN1
SCHEMBL2949903 0.86 HSD11B1 (0.43) HSD11B1KDM4EGAAALOX5APFEN1
SCHEMBL2961227 0.83 ALDH1A1 (0.53) KDM4EGAAALOX5APFEN1CNR1
SCHEMBL2956855 0.83 ALDH1A1 (0.46) KDM4EGAAALOX5APFEN1CNR1
SCHEMBL2958858 0.80 ALOX5AP (0.44) HSD11B1ALOX5APFEN1LMNACNR1
SCHEMBL2962716 0.80 ALOX5AP (0.44) HSD11B1ALOX5APFEN1LMNACNR1
SCHEMBL2958861 0.80 ALOX5AP (0.44) HSD11B1ALOX5APFEN1LMNACNR1
SCHEMBL2953416 0.77 JAK2 (0.41) HSD11B1KDM4EALOX5APFEN1LMNA
SCHEMBL2953419 0.76 NPY5R (0.41) KDM4EALOX5APFEN1LMNACNR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD11B1 7/4885KDM4E 3234/4885GAA 455/4885

“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.