SCHEMBL12748741

SCHEMBL12748741

CC(C)c1ccc(S(=O)(=O)n2cc(C(=O)O)c3cccc(F)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KAT6A Q92794 1/20 0.42
TNFSF11 O14788 1/20 0.41
HTR6 P50406 7/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.40
PLK1 P53350 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FABP4 P15090 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP2C9 P11712 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
SCHEMBL12748753 0.87 AKR1C3 (0.48) AKR1C3AKR1C1HTR6CYP3A4CYP2D6
SCHEMBL1468084 0.86 AKR1C3 (0.54) AKR1C3AKR1C1TNFSF11HTR6CYP3A4
SCHEMBL12748738 0.85 AKR1C3 (0.64) AKR1C3AKR1C1KAT6ATNFSF11CYP3A4
SCHEMBL12748687 0.85 AKR1C3 (0.46) AKR1C3AKR1C1HTR6CYP3A4CYP2D6
SCHEMBL947655 0.81 AKR1C3 (0.72) AKR1C3AKR1C1TNFSF11HTR6CYP3A4
SCHEMBL12748689 0.78 AKR1C3 (0.51) AKR1C3AKR1C1TNFSF11HTR6LMNA
SCHEMBL12748702 0.78 AKR1C3 (0.60) AKR1C3AKR1C1HTR6LMNASMN1; SMN2
SCHEMBL12748710 0.77 HTR6 (0.57) AKR1C3AKR1C1HTR6CYP3A4CYP2D6
SCHEMBL12748677 0.74 AKR1C3 (0.54) AKR1C3AKR1C1TNFSF11HTR6LMNA
SCHEMBL1465894 0.74 AKR1C3 (0.54) AKR1C3AKR1C1TNFSF11HTR6LMNA

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-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-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

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 291/4885KAT6A 2776/4885
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 134/4885KAT6A 1871/4885

“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.