SCHEMBL12748766

SCHEMBL12748766

O=C(O)c1cn(S(=O)(=O)c2ccccc2)c2c(Cl)ccc(CO)c12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PLK1 P53350 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTR6 P50406 7/20 0.38
▸ TNF P01375 2/20 0.38
▸ TNFSF11 O14788 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CLCN2 P51788 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
SCHEMBL12748767 0.82 KMT2A (0.46) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12993956 0.80 KMT2A (0.44) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748649 0.79 AKR1C3 (0.55) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL1465894 0.78 AKR1C3 (0.54) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748662 0.77 AKR1C3 (0.53) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748787 0.77 KMT2A (0.45) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748779 0.74 KMT2A (0.43) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748681 0.71 AKR1C3 (0.52) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL1466281 0.70 AKR1C3 (0.64) KMT2AAKR1C3AKR1C1LMNASMN1; SMN2
SCHEMBL12748652 0.70 AKR1C3 (0.67) 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 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 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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