SCHEMBL594453

SCHEMBL594453

Cc1ccc([N+](=O)[O-])cc1N(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 3/20 0.54
PDE2A O00408 1/20 0.54
PDE5A O76074 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
APEX1 P27695 1/20 0.54
PDE4A P27815 1/20 0.54
BLM P54132 1/20 0.54
PDE1B Q01064 1/20 0.54
PMP22 Q01453 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE7A Q13946 1/20 0.54
PDE1C Q14123 1/20 0.54
PDE7B Q9NP56 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
CYP19A1 P11511 6/20 0.46

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
SCHEMBL30204314 0.82 CYP19A1 (0.45) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL9022132 0.82 HSD17B10 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL1131658 0.79 ALDH1A1 (0.62) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL2122702 0.79 CYP19A1 (0.48) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL2056577 0.77 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL13514349 0.76 CYP19A1 (0.56) ALDH1A1TDP1CYP19A1HTT
SCHEMBL13297777 0.75 CYP19A1 (0.62) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL2650351 0.74 ALDH1A1 (0.68) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL35583854 0.74 ALDH1A1 (0.68) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL4245109 0.73 CA1 (0.50) ALDH1A1TDP1TSHRCYP3A4L3MBTL1

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
WO-2024026500-A2 INHIBITORS OF PDE11A4 AND METHODS OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2024-02-01 WO disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 WO disclosed
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2014-05-08 US disclosed
US-8114590-B2 Diagnosis and treatment of chronic lymphocytic leukemia (CLL) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-14 US disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2011-07-14 US disclosed
US-20110117562-A1 Diagnosis and Treatment of Chronic Lymphocytic Leukemia (CLL) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 US disclosed
US-7846664-B2 Diagnosis and treatment of chronic lymphocytic leukemia (CLL) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-07 US disclosed
US-20090239884-A1 Methods of Treating Inflammation THE UNIVERSITY OF CONNECTICUT 2009-09-24 US disclosed
US-20090131353-A1 Diagnosis and Treatment of Chronic Lymphocytic Leukemia (CLL) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-21 US disclosed
US-20090105281-A1 Methods of treating inflammation UNIVERSITY OF CONNECTICUT, THE 2009-04-23 US disclosed
WO-2008113881-A1 COMPOUND THAT IS A DUAL INHIBITOR OF ENZYMES PDE7 AND/OR PDE4, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2008-09-25 WO 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 (5 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-20090239884-A1 Methods of Treating Inflammation TNF, IL6, IL4 ALDH1A1 2114/4885TDP1 3851/4885TSHR 4645/4885
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B ALDH1A1 1738/4885TDP1 2437/4885TSHR 4054/4885
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ALDH1A1 3179/4885TDP1 264/4885TSHR 4815/4885
US-20090105281-A1 Methods of treating inflammation TNF, IL6, IL4 ALDH1A1 2114/4885TDP1 3851/4885TSHR 4645/4885
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B ALDH1A1 1738/4885TDP1 2437/4885TSHR 4054/4885

“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.