SCHEMBL6767287

SCHEMBL6767287

COC(=O)C(O)=CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(C(=O)O)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ PLK1 P53350 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TNFSF11 O14788 2/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ TNF P01375 4/20 0.41
▸ HTR6 P50406 7/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ HTR1E P28566 1/20 0.38
▸ HTR1F P30939 1/20 0.38

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
SCHEMBL6767283 1.00 MEN1 (0.52) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6764600 0.88 LMNA (0.48) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6764599 0.88 LMNA (0.48) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6767617 0.88 MEN1 (0.48) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6765084 0.80 LMNA (0.71) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL2511452 0.78 LMNA (0.53) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6766810 0.77 MEN1 (0.44) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6766808 0.77 MEN1 (0.44) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6765180 0.76 LMNA (0.65) MEN1KMT2APLK1LMNASMN1; SMN2
SCHEMBL6764407 0.76 LMNA (0.44) MEN1KMT2APLK1LMNASMN1; 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 12 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
US-6716605-B2 Indole derivatives having an antiviral activity SHIONOGI & CO., LTD. (JP) 2004-04-06 — — US disclosed
US-20030181499-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2003-09-25 — — US disclosed
US-6506787-B2 Aids therapy SHIONOGI & CO., LTD. (JP) 2003-01-14 — — US disclosed
US-20020019434-A1 Indole derivatives having an antiviral activity FUJISHITA TOSHIO (JP) 2002-02-14 — — US disclosed
US-6333323-B1 AS ANTI-HUMAN IMMUNODEFICIENCY VIRUS (HIV) DRUGS SHIONOGI & CO., LTD. (JP) 2001-12-25 — — US disclosed
EP-1069111-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-01-17 — — 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 (4 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 MEN1 1872/4885KMT2A 1600/4885PLK1 1507/4885
US-20020019434-A1 Indole derivatives having an antiviral activity IDO1, IDO2, RCOR1 MEN1 4808/4885KMT2A 516/4885PLK1 3827/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 MEN1 4793/4885KMT2A 523/4885PLK1 3843/4885
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 MEN1 2656/4885KMT2A 2054/4885PLK1 2515/4885

“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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