SCHEMBL623536

SCHEMBL623536

O=[N+]([O-])c1ccccc1-c1ccc(CO)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
MAPK1 P28482 4/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
GAA P10253 3/20 0.52
KDM4E B2RXH2 3/20 0.52
APAF1 O14727 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC9A1 P19634 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
PKM P14618 2/20 0.51
PRMT5 O14744 1/20 0.50
BLM P54132 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
PDE4B Q07343 2/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL622199 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL16316318 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL3400235 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL6394577 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL13719371 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL18862278 0.76 MAPT (0.59) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL6731238 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL6731240 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL2089396 0.75 SLC9A1 (0.67) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL3327335 0.74 SLC9A1 (0.65) ALDH1A1KMT2AMAPTMAPK1MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO disclosed
EP-1474387-B1 DERIVATIVES OF ALPHA-PHENYLTHIOCARBOXYLIC AND ALPHA-PHENYLOXY-CARBOXYLIC ACIDS USEFUL FOR THE TREATMENT OF DISEASES RESPONDING TO PPAR ALPHA ACTIVATION SIGMA TAU IND FARMACEUTI (IT) 2010-11-24 EP disclosed
CN-100522940-C Derivatives of alpha-phenylthiocarboxylic and g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPAR alpha activation SIGMA TAU IND FARMACEUTI (IT) 2009-08-05 CN disclosed
US-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-31 US disclosed
CN-1620429-A Derivatives of alpha-phenylthiocarboxylic and g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPAR alpha activation SIGMA TAU IND FARMACEUTI (IT) 2005-05-25 CN disclosed
US-20050054671-A1 Derivatives of alpha-phenylthiocarboxylic and $g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to pparalpha activation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P. A 2005-03-10 US disclosed
EP-1474387-A2 DERIVATIVES OF ALPHA-PHENYLTHIOCARBOXYLIC AND ALPHA-PHENYLOXY-CARBOXYLIC ACIDS USEFUL FOR THE TREATMENT OF DISEASES RESPONDING TO PPAR ALPHA ACTIVATION Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-11-10 EP disclosed
WO-2003059875-A2 DERIVATIVES OF α-PHENYLTHIOCARBOXYLIC AND α-PHENYLOXY-CARBOXYLIC ACIDS USEFUL FOR THE TREATMENT OF DISEASES RESPONDING TO PPARα ACTIVATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 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 (3 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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT ALDH1A1 4427/4885KMT2A 1956/4885MAPT 4401/4885
US-20080027098-A1 Derivatives of alpha-phenylthiocarboxylic and alpha-phenyloxy-carboxylic acids useful for the treatment of diseases responding to PPARalpha activation PPARA, PPARD, PPARG ALDH1A1 685/4885KMT2A 3263/4885MAPT 3247/4885
US-20050054671-A1 Derivatives of alpha-phenylthiocarboxylic and $g(a)-phenyloxy-carboxylic acids useful for the treatment of diseases responding to pparalpha activation PPARG, PPARA, PPARD ALDH1A1 841/4885KMT2A 2309/4885MAPT 3386/4885

“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.