SCHEMBL12748613

SCHEMBL12748613

CCc1ccc(S(=O)(=O)n2cc(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.72
▸ AKR1C1 Q04828 1/20 0.72
▸ LMNA P02545 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ PLK1 P53350 1/20 0.60
▸ TNF P01375 3/20 0.55
▸ ALOX5 P09917 4/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ TNFSF11 O14788 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HTR6 P50406 4/20 0.50
▸ FABP4 P15090 1/20 0.50
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL12748616 0.88 AKR1C3 (0.66) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL948989 0.86 AKR1C3 (0.83) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL12748306 0.85 AKR1C3 (0.78) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL29414776 0.85 AKR1C3 (0.78) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL12748630 0.85 AKR1C3 (0.78) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL1466532 0.84 AKR1C3 (1.00) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL12748704 0.83 AKR1C3 (0.50) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL947625 0.83 AKR1C3 (0.78) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL12748623 0.83 AKR1C3 (0.78) AKR1C3AKR1C1LMNASMN1; SMN2MEN1
SCHEMBL947655 0.82 AKR1C3 (0.72) AKR1C3AKR1C1LMNASMN1; SMN2MEN1

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-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

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.

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