SCHEMBL16639743

SCHEMBL16639743

C=c1s/c(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c(=O)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 3/20 0.56
PTPN7 P35236 1/20 0.56
ENPP2 Q13822 1/20 0.48
TDP1 Q9NUW8 6/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
APEX1 P27695 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 4/20 0.46
POLB P06746 4/20 0.46
KMT2A Q03164 4/20 0.46
RECQL P46063 2/20 0.46
THRB P10828 1/20 0.46
DNMT1 P26358 1/20 0.46
GFER P55789 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP2 O95551 1/20 0.46
APAF1 O14727 1/20 0.45

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
SCHEMBL17789560 0.91 ENPP2 (0.60) DUSP3PTPN7ENPP2TDP1MAPT
SCHEMBL16687570 0.91 KDM4E (0.58) DUSP3PTPN7ENPP2TDP1MAPT
SCHEMBL16639744 0.82 DUSP3 (0.59) DUSP3PTPN7TDP1MAPTKDM4E
SCHEMBL23692386 0.80 EP300 (0.44) DUSP3PTPN7TDP1MAPTKDM4E
SCHEMBL16639748 0.79 MAPT (0.43) DUSP3PTPN7TDP1MAPTKDM4E
SCHEMBL17789559 0.78 ALDH1A1 (0.53) DUSP3PTPN7ENPP2TDP1MAPT
SCHEMBL16639746 0.78 KMT2A (0.53) DUSP3PTPN7TDP1MAPTKDM4E
SCHEMBL16639747 0.78 MEN1 (0.44) DUSP3PTPN7TDP1MAPTKDM4E
SCHEMBL15374273 0.77 HIF1AN (0.56) DUSP3PTPN7TDP1MAPTKDM4E
SCHEMBL17789558 0.75 ITGB2 (0.59) DUSP3PTPN7TDP1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US 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 (2 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-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B DUSP3 3506/4885PTPN7 3222/4885ENPP2 107/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B DUSP3 3506/4885PTPN7 3222/4885ENPP2 107/4885

“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.