SCHEMBL1705376

SCHEMBL1705376

O=C(OCc1ccccc1)C(Cl)C(=O)C(Cl)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 3/20 0.49
HCAR2 Q8TDS4 1/20 0.49
ELANE P08246 1/20 0.46
P2RX7 Q99572 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CTRB1 P17538 2/20 0.44
POLB P06746 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL2170966 0.85 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8534374 0.84 ALDH1A1 (0.64) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL28993130 0.84 TDP1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20599922 0.81 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL2016551 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8784388 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL9557590 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18328108 0.81 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5370054 0.80 NR4A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL394346 0.79 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10806794-B2 Protease inhibitors having enhanced features NEKTAR THERAPEUTICS (US) 2020-10-20 US disclosed
US-20180353609-A1 PROTEASE INHIBITORS HAVING ENHANCED FEATURES NEKTAR THERAPEUTICS 2018-12-13 US disclosed
US-10092656-B2 Protease inhibitors having enhanced features NEKTAR THERAPEUTICS (US) 2018-10-09 US disclosed
US-20170028077-A1 PROTEASE INHIBITORS HAVING ENHANCED FEATURES NEKTAR THERAPEUTICS 2017-02-02 US disclosed
US-20120108501-A1 Protease Inhibitors NEKTAR THERAPEUTICS (US) 2012-05-03 US disclosed
EP-2440249-A2 COVALENT CONJUGATES COMPRISING A PROTEASE INHIBITOR, A WATER-SOLUBLE, NON-PEPTIDIC OLIGOMER AND A LIPOPHILIC MOIETY Nektar Therapeutics (US) 2012-04-18 EP disclosed
US-20110195940-A1 Protease Inhibitors Having Enhanced Features NEKTAR THERAPEUTICS (CA) 2011-08-11 US disclosed
WO-2010144869-A2 PROTEASE INHIBITORS NEKTAR THERAPEUTICS (US) 2010-12-16 WO disclosed
WO-2010033219-A2 PROTEASE INHIBITORS HAVING ENHANCED FEATURES NEKTAR THERAPEUTICS (US) 2010-03-25 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 (6 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-10806794-B2 Protease inhibitors having enhanced features SERPINB1, SPINT2, TMPRSS15 ALDH1A1 1697/4885TDP1 989/4885MAPK1 4103/4885
US-10092656-B2 Protease inhibitors having enhanced features SERPINB1, SPINT2, TMPRSS15 ALDH1A1 1697/4885TDP1 989/4885MAPK1 4103/4885
US-20170028077-A1 PROTEASE INHIBITORS HAVING ENHANCED FEATURES SERPINB1, SPINT2, TMPRSS15 ALDH1A1 1697/4885TDP1 989/4885MAPK1 4103/4885
US-20110195940-A1 Protease Inhibitors Having Enhanced Features CYP3A43, HPN, ANPEP ALDH1A1 1870/4885TDP1 1783/4885MAPK1 4243/4885
US-20120108501-A1 Protease Inhibitors DNPEP, ADAM17, PREP ALDH1A1 4161/4885TDP1 1780/4885MAPK1 3260/4885
US-20180353609-A1 PROTEASE INHIBITORS HAVING ENHANCED FEATURES SERPINB1, SPINT2, TMPRSS15 ALDH1A1 1697/4885TDP1 989/4885MAPK1 4103/4885

“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.