SCHEMBL12748628

SCHEMBL12748628

O=C(O)c1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTR6 P50406 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PLK1 P53350 1/20 0.54
GAA P10253 1/20 0.52
TNFSF11 O14788 5/20 0.47
TNF P01375 3/20 0.47
ACLY P53396 1/20 0.47
HTT P42858 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TPSAB1 Q15661 1/20 0.46
FABP4 P15090 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL12827963 0.85 AKR1C3 (0.57) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL948989 0.84 AKR1C3 (0.83) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL12748609 0.82 AKR1C3 (0.64) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL12748598 0.80 MEN1 (0.62) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL947625 0.78 AKR1C3 (0.78) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL22130445 0.78 PLK1 (0.47) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL3140904 0.78 AKR1C3 (0.72) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL12748645 0.78 AKR1C3 (0.68) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL12748602 0.77 AKR1C3 (0.67) AKR1C3AKR1C1LMNASMN1; SMN2HTR6
SCHEMBL12748642 0.77 AKR1C3 (0.67) AKR1C3AKR1C1LMNASMN1; SMN2HTR6

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 7 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

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 291/4885LMNA 475/4885
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 134/4885LMNA 894/4885

“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.