SCHEMBL12748680

SCHEMBL12748680

Cc1cccc2c(C(=O)O)cn(S(=O)(=O)c3ccc(Br)cc3)c12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
AKR1C1 Q04828 1/20 0.64
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX5 P09917 3/20 0.42
PTGS2 P35354 1/20 0.42
FABP4 P15090 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PLK1 P53350 1/20 0.41
HTR6 P50406 2/20 0.39
GPR183 P32249 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL12748677 0.91 AKR1C3 (0.54) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL12748694 0.85 AKR1C3 (0.62) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL1466281 0.85 AKR1C3 (0.64) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL12748738 0.85 AKR1C3 (0.64) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL12748702 0.84 AKR1C3 (0.60) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL12748691 0.82 AKR1C3 (0.58) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL1466532 0.79 AKR1C3 (1.00) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL12748771 0.78 AKR1C3 (0.55) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5
SCHEMBL12748667 0.77 AKR1C3 (0.58) AKR1C3AKR1C1KMT2AMEN1PKM
SCHEMBL1466938 0.76 AKR1C3 (0.56) AKR1C3AKR1C1LMNASMN1; SMN2ALOX5

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 5 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-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.