SCHEMBL8601386

SCHEMBL8601386

COc1ccc(S(=O)(=O)n2cc(C(=O)O)c3ccccc32)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
AKR1C1 Q04828 1/20 0.64
HTR6 P50406 6/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PLK1 P53350 1/20 0.53
PDE4A P27815 2/20 0.53
PDE4B Q07343 2/20 0.53
PDE4C Q08493 2/20 0.53
PDE4D Q08499 2/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
FABP4 P15090 1/20 0.48
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL8600630 0.89 MEN1 (0.72) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL949506 0.84 AKR1C3 (0.72) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL12748598 0.83 MEN1 (0.62) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL3754250 0.82 FABP4 (0.58) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL4815832 0.81 HTR6 (0.75) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL948989 0.80 AKR1C3 (0.83) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL29414776 0.80 AKR1C3 (0.78) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL12748630 0.80 AKR1C3 (0.78) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL12748306 0.80 AKR1C3 (0.78) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL6285576 0.79 HTR6 (0.55) AKR1C3AKR1C1HTR6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
EP-1990335-A1 17 BETA HSD TYPE 5 INHIBITOR Astellas Pharma Inc. (JP) 2008-11-12 EP disclosed
US-5728712-A 3,4-disubstituted-phenylsulphonamides and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-03-17 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 (2 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-20110071146-A1 17BetaHSD Type 5 Inhibitor CYP17A1, HSD17B3, HSD3B1 AKR1C3 189/4885AKR1C1 291/4885HTR6 1178/4885
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer CYP17A1, HSD17B3, HSD17B1 AKR1C3 109/4885AKR1C1 134/4885HTR6 1219/4885

“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.