SCHEMBL12748345

SCHEMBL12748345

Cc1c(F)cc(Cl)c2[nH]cc(C(=O)O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 3/20 0.52
▸ CSNK2B P67870 3/20 0.52
▸ CSNK2A1 P68400 3/20 0.52
▸ ADRA2A P08913 1/20 0.41
▸ CLCN2 P51788 1/20 0.41
▸ PRKAB2 O43741 10/20 0.38
▸ PRKAG1 P54619 10/20 0.38
▸ PRKAA2 P54646 10/20 0.38
▸ PRKAA1 Q13131 10/20 0.38
▸ PRKAG3 Q9UGI9 10/20 0.38
▸ PRKAG2 Q9UGJ0 10/20 0.38
▸ PRKAB1 Q9Y478 10/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ AURKA O14965 1/20 0.35

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
SCHEMBL14037111 0.84 CSNK2A1 (0.39) CSNK2A2CSNK2BCSNK2A1ADRA2ACLCN2
SCHEMBL12748348 0.80 CSNK2A2 (0.60) CSNK2A2CSNK2BCSNK2A1ADRA2ACLCN2
SCHEMBL1465916 0.73 CSNK2A2 (0.54) CSNK2A2CSNK2BCSNK2A1ADRA2ACLCN2
SCHEMBL12748339 0.71 CSNK2A2 (0.54) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL17417701 0.70 F7 (0.46) ADRA2ACLCN2PRKAB2PRKAG1PRKAA2
SCHEMBL1275907 0.70 ADRA2A (0.50) CSNK2A2CSNK2BCSNK2A1ADRA2ACLCN2
SCHEMBL8591424 0.70 CSNK2A2 (0.60) CSNK2A2CSNK2BCSNK2A1F7F3
SCHEMBL27034883 0.69 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1PRKAB2PRKAG1
SCHEMBL19615682 0.69 CSNK2A1 (1.00) CSNK2A2CSNK2BCSNK2A1KDM5AKDM4C
SCHEMBL31061216 0.69 CSNK2A1 (1.00) CSNK2A2CSNK2BCSNK2A1KDM5AKDM4C

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-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 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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