SCHEMBL12748704

SCHEMBL12748704

CCc1ccc(S(=O)(=O)n2cc(C(=O)O)c3cc(F)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ AKR1C1 Q04828 1/20 0.50
▸ PTGDR2 Q9Y5Y4 6/20 0.47
▸ HTR6 P50406 9/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ METAP2 P50579 1/20 0.46
▸ PTGDR Q13258 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL12748700 0.87 PTGDR2 (0.54) AKR1C3AKR1C1PTGDR2HTR6HTR2A
SCHEMBL12748697 0.85 AKR1C3 (0.68) AKR1C3AKR1C1PTGDR2HTR6MEN1
SCHEMBL1468385 0.85 AKR1C3 (0.60) AKR1C3AKR1C1PTGDR2HTR6HTR2A
SCHEMBL12748713 0.84 HTR6 (0.54) AKR1C3AKR1C1PTGDR2HTR6PTGDR
SCHEMBL12748710 0.84 HTR6 (0.57) AKR1C3AKR1C1PTGDR2HTR6LMNA
SCHEMBL12748709 0.84 AKR1C3 (0.50) AKR1C3AKR1C1PTGDR2HTR6HTR2A
SCHEMBL12748613 0.83 AKR1C3 (0.72) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL15556917 0.79 HTR3A (0.57) AKR1C3AKR1C1PTGDR2HTR6MEN1
SCHEMBL947625 0.76 AKR1C3 (0.78) AKR1C3AKR1C1HTR6MEN1KMT2A
SCHEMBL12748657 0.76 AKR1C3 (0.65) 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 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 AKR1C3 189/4885AKR1C1 291/4885PTGDR2 1268/4885
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 134/4885PTGDR2 1448/4885

“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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