SCHEMBL6764600

SCHEMBL6764600

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TNFSF11 O14788 5/20 0.44
▸ TNF P01375 5/20 0.43
▸ HTR6 P50406 6/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL6764599 1.00 LMNA (0.48) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL6767287 0.88 MEN1 (0.52) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL6767283 0.88 MEN1 (0.52) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL6768534 0.86 LMNA (0.48) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL7135129 0.86 LMNA (0.48) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL2511452 0.82 LMNA (0.53) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL6765084 0.82 LMNA (0.71) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL6764407 0.80 LMNA (0.44) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL6767617 0.77 MEN1 (0.48) LMNASMN1; SMN2AKR1C3AKR1C1PLK1
SCHEMBL15577151 0.73 LMNA (0.73) LMNASMN1; SMN2AKR1C3AKR1C1PLK1

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 13 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
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 LMNA 475/4885SMN1; SMN2 4578/4885AKR1C3 189/4885
US-20020019434-A1 Indole derivatives having an antiviral activity IDO1, IDO2, RCOR1 LMNA 3556/4885SMN1; SMN2 4787/4885AKR1C3 1430/4885
US-20030181499-A1 Indole derivatives having an antiviral activity IDO1, RCOR1, IDO2 LMNA 3448/4885SMN1; SMN2 4797/4885AKR1C3 1567/4885
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 LMNA 894/4885SMN1; SMN2 4551/4885AKR1C3 109/4885

“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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