SCHEMBL1403473

SCHEMBL1403473

Cc1cc(C(=O)O)c(C(=O)O)c(C)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10381810 1.00 TSHR (0.44) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL2299148 0.86 PKM (0.50) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL5275541 0.86 TSHR (0.44) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL561310 0.86 PKM (0.50) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL4536570 0.86 TSHR (0.44) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL4663909 0.86 TDP1 (0.46) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL2424155 0.83 TDP1 (0.44) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL5320639 0.81 KDM4E (0.47) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL23043801 0.81 PKM (0.56) TSHRTDP1L3MBTL1PKMALDH1A1
SCHEMBL18602612 0.79 PKM (0.50) TSHRTDP1L3MBTL1PKMALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3327013-B1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORP (US) 2019-04-24 EP disclosed
EP-3327013-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS Celgene Corporation (US) 2018-05-30 EP disclosed
EP-3061758-B1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORP (US) 2018-01-31 EP disclosed
US-9801868-B2 5-substituted isoindoline compounds CELGENE CORPORATION (US) 2017-10-31 US disclosed
US-20160346264-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION 2016-12-01 US disclosed
US-9447070-B2 5-substituted isoindoline compounds CELGENE CORPORATION (US) 2016-09-20 US disclosed
EP-3061758-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS Celgene Corporation (US) 2016-08-31 EP disclosed
EP-2749559-B1 5-substituted isoindoline compounds CELGENE CORP (US) 2016-04-27 EP disclosed
EP-2291365-B1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORP (US) 2015-03-11 EP disclosed
US-20150005303-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION 2015-01-01 US disclosed
CN-102112463-A 5-substituted isoindoline compounds CELGENE CORP 2011-06-29 CN disclosed
EP-2291365-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2011-03-09 EP disclosed
WO-2009145899-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2009-12-03 WO disclosed
US-20090142297-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION 2009-06-04 US disclosed
EP-2057143-A2 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2009-05-13 EP disclosed
WO-2008027542-A2 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CELGENE CORPORATION (US) 2008-03-06 WO disclosed
EP-0203957-B1 5-(3,5-DISUBSTITUTED PHENYLAZO)-2-HYDROXYBENZENE ACETIC ACIDS AND SALTS AND LACTONES THEREOF, AND PHARMACEUTICAL COMPOSITIONS OF SAID ACIDS, SALTS, AND LACTONES PHARMACIA AB (SE) 1990-03-14 EP disclosed
US-4725676-A 5-(3,5-disubstituted phenylazo)-2-hydroxybenzene-acetic acids and salts and lactones thereof having a potentially inhibitory effect on 15-hydroxy-prostaglandin dehydrogenase PHARMACIA AB (SE) 1988-02-16 US disclosed
EP-0203957-A1 5-(3,5-disubstituted phenylazo)-2-hydroxybenzene acetic acids and salts and lactones thereof, and pharmaceutical compositions of said acids, salts, and lactones. PHARMACIA AB (SE) 1986-12-10 EP disclosed
WO-1986003195-A1 NOVEL AZO COMPOUNDS PHARMACIA AB (SE) 1986-06-05 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-20160346264-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CYP3A5, CYP3A7, CYP3A4 TSHR 4360/4885TDP1 1031/4885L3MBTL1 3940/4885
US-20150005303-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CYP3A5, CYP3A7, CYP3A4 TSHR 4360/4885TDP1 1031/4885L3MBTL1 3940/4885
US-20090142297-A1 5-SUBSTITUTED ISOINDOLINE COMPOUNDS CYP3A5, CYP3A7, CYP3A4 TSHR 4360/4885TDP1 1031/4885L3MBTL1 3940/4885

“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.