SCHEMBL2962716

SCHEMBL2962716

CN(C)[C@H]1CCN(S(=O)(=O)c2cnc(O)c3ccccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
RORC P51449 1/20 0.43
JAK2 O60674 5/20 0.43
JAK1 P23458 5/20 0.43
HSD11B1 P28845 1/20 0.43
ATR Q13535 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
COMT P21964 1/20 0.39
POLB P06746 1/20 0.38
CHEK2 O96017 1/20 0.38
PARP1 P09874 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
HTR2B P41595 2/20 0.37

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
SCHEMBL2958861 1.00 ALOX5AP (0.44) ALOX5APFEN1RORCJAK2JAK1
SCHEMBL2958858 1.00 ALOX5AP (0.44) ALOX5APFEN1RORCJAK2JAK1
SCHEMBL2953416 0.92 JAK2 (0.41) ALOX5APFEN1RORCJAK2JAK1
SCHEMBL4728148 0.81 POLB (0.46) ROCK2ROCK1ALDH1A1COMTPOLB
SCHEMBL2955870 0.80 HSD11B1 (0.43) ALOX5APFEN1HSD11B1ALDH1A1LMNA
SCHEMBL2955872 0.80 HSD11B1 (0.43) ALOX5APFEN1HSD11B1ALDH1A1LMNA
SCHEMBL2956855 0.77 ALDH1A1 (0.46) ALOX5APFEN1ALDH1A1COMTPOLB
SCHEMBL2953419 0.77 NPY5R (0.41) ALOX5APFEN1ALDH1A1LMNACOMT
SCHEMBL2953421 0.77 NPY5R (0.41) ALOX5APFEN1ALDH1A1LMNACOMT
SCHEMBL17303501 0.76 HTR2A (0.53) ALOX5APFEN1RORCJAK2JAK1

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 4 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-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 ALOX5AP 2234/4885FEN1 768/4885RORC 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.