SCHEMBL12748339

SCHEMBL12748339

Cc1cc(Cl)c2[nH]cc(C(=O)O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 3/20 0.54
▸ CSNK2B P67870 3/20 0.54
▸ CSNK2A1 P68400 3/20 0.54
▸ PRKAB2 O43741 8/20 0.48
▸ PRKAG1 P54619 8/20 0.48
▸ PRKAA2 P54646 8/20 0.48
▸ PRKAA1 Q13131 8/20 0.48
▸ PRKAG3 Q9UGI9 8/20 0.48
▸ PRKAG2 Q9UGJ0 8/20 0.48
▸ PRKAB1 Q9Y478 8/20 0.48
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ NR4A2 P43354 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL30416712 0.82 F7 (0.54) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL23623627 0.82 F7 (0.54) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL12748347 0.82 CYP1A2 (0.57) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL20605026 0.79 MYC (0.47) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL31375034 0.76 F7 (0.51) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL17417760 0.75 KCNH2 (0.52) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL2036977 0.71 NR4A2 (0.69) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL31542356 0.71 NR4A2 (0.69) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL12748348 0.71 CSNK2A2 (0.60) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL27601872 0.71 MAPT (0.39) CSNK2A2CSNK2BCSNK2A1NR4A2AR

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 7 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
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 CSNK2A2 2109/4885CSNK2B 1590/4885CSNK2A1 1803/4885
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 CSNK2A2 1852/4885CSNK2B 1468/4885CSNK2A1 1430/4885

“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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