SCHEMBL3754250

SCHEMBL3754250

COc1ccc(S(=O)(=O)n2cc(C(=O)O)c3ccccc32)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.58
AKR1C3 P42330 1/20 0.55
AKR1C1 Q04828 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.48
PLK1 P53350 1/20 0.48
HTR6 P50406 2/20 0.48
TSHR P16473 1/20 0.47
CDC25B P30305 1/20 0.47

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
SCHEMBL8601386 0.82 AKR1C3 (0.64) FABP4AKR1C3AKR1C1MEN1KMT2A
SCHEMBL3751705 0.82 HTR6 (0.56) FABP4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14037104 0.79 KDM4E (0.57) FABP4MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12748604 0.78 FABP4 (0.71) FABP4AKR1C3AKR1C1MEN1KMT2A
SCHEMBL3746693 0.78 HTR6 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL949506 0.78 AKR1C3 (0.72) FABP4AKR1C3AKR1C1MEN1KMT2A
SCHEMBL948989 0.76 AKR1C3 (0.83) FABP4AKR1C3AKR1C1MEN1KMT2A
SCHEMBL12748598 0.75 MEN1 (0.62) FABP4AKR1C3AKR1C1MEN1KMT2A
SCHEMBL6674814 0.74 AKR1C3 (0.62) FABP4AKR1C3AKR1C1MEN1KMT2A
SCHEMBL12748641 0.74 AKR1C3 (0.56) FABP4AKR1C3AKR1C1MEN1KMT2A

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 11 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-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 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-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 WO 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 (3 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 FABP4 1102/4885AKR1C3 189/4885AKR1C1 291/4885
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D FABP4 4167/4885AKR1C3 1311/4885AKR1C1 1534/4885
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 FABP4 787/4885AKR1C3 109/4885AKR1C1 134/4885

“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.