SCHEMBL12748723

SCHEMBL12748723

O=C(O)c1cn(S(=O)(=O)c2ccc(Cl)cc2Cl)c2ccc(F)cc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.45
▸ PTGDR2 Q9Y5Y4 4/20 0.44
▸ PTGDR Q13258 2/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HTR6 P50406 5/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ RORC P51449 1/20 0.42
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FABP4 P15090 1/20 0.39

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
SCHEMBL12748641 0.84 AKR1C3 (0.56) ACLYCA2CA9HTR6RORC
SCHEMBL12748713 0.84 HTR6 (0.54) PTGDR2PTGDRHTR6KCNH2AKR1C3
SCHEMBL12748722 0.80 AKR1C3 (0.48) ACLYHTR6AKR1C3AKR1C1FABP4
SCHEMBL12748717 0.78 AKR1C3 (0.46) ACLYHTR6AKR1C3AKR1C1FABP4
SCHEMBL14037139 0.78 FABP4 (0.46) PTGDR2PTGDRHTR6AKR1C3AKR1C1
SCHEMBL1468385 0.78 AKR1C3 (0.60) PTGDR2PTGDRHTR6AKR1C3AKR1C1
SCHEMBL3132223 0.76 AKR1C3 (0.58) ACLYCA2CA9HTR6AKR1C3
SCHEMBL15556917 0.76 HTR3A (0.57) PTGDR2HTR6RORCAKR1C3AKR1C1
SCHEMBL12748697 0.76 AKR1C3 (0.68) PTGDR2HTR6AKR1C3AKR1C1SMN1; SMN2
SCHEMBL1466360 0.75 AKR1C3 (0.60) ACLYHTR6AKR1C3AKR1C1SMN1; SMN2

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 6 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-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 ACLY 1484/4885PTGDR2 1268/4885PTGDR 875/4885
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 ACLY 903/4885PTGDR2 1448/4885PTGDR 1031/4885

“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.

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