SCHEMBL12748787

SCHEMBL12748787

O=C(O)c1cn(S(=O)(=O)c2ccccc2)c2c(Cl)cc(Cl)c(F)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ KAT6A Q92794 2/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ TNFSF11 O14788 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PKM P14618 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
SCHEMBL12748779 0.84 KMT2A (0.43) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748767 0.79 KMT2A (0.46) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748770 0.78 AKR1C3 (0.50) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748766 0.77 KMT2A (0.44) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12993956 0.76 KMT2A (0.44) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL1465894 0.74 AKR1C3 (0.54) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL1468084 0.71 AKR1C3 (0.54) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748781 0.69 AKR1C3 (0.49) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748771 0.69 AKR1C3 (0.55) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL21678619 0.68 AKR1C3 (0.42) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2

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 KMT2A 1600/4885AKR1C3 189/4885AKR1C1 291/4885
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 KMT2A 2054/4885AKR1C3 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.

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