SCHEMBL16639744

SCHEMBL16639744

C=c1s/c(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c(=O)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 3/20 0.59
PTPN7 P35236 1/20 0.59
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
DNMT1 P26358 1/20 0.53
GFER P55789 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 5/20 0.48
RECQL P46063 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
THRB P10828 2/20 0.48
MCL1 Q07820 2/20 0.47
APAF1 O14727 1/20 0.47
USP2 O75604 1/20 0.47
APEX1 P27695 1/20 0.47
PSMB8 P28062 3/20 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
SCHEMBL16639743 0.82 DUSP3 (0.56) DUSP3PTPN7MEN1KMT2APOLB
SCHEMBL16687570 0.76 KDM4E (0.58) DUSP3PTPN7MEN1KMT2APOLB
SCHEMBL17789560 0.76 ENPP2 (0.60) DUSP3PTPN7MEN1KMT2APOLB
SCHEMBL15315392 0.75 POLB (0.50) DUSP3PTPN7MEN1KMT2APOLB
SCHEMBL13479552 0.74 DUSP3 (1.00) DUSP3PTPN7MEN1KMT2APOLB
SCHEMBL23692463 0.73 MAPT (0.42) DUSP3MEN1KMT2APOLBTDP1
SCHEMBL19597040 0.72 MEN1 (0.53) DUSP3PTPN7MEN1KMT2APOLB
SCHEMBL46557 0.72 MEN1 (0.70) MEN1KMT2APOLBL3MBTL1DNMT1
SCHEMBL6742617 0.70 PTPN12 (0.77) MEN1KMT2APOLBL3MBTL1DNMT1
SCHEMBL46216 0.70 PTPN12 (0.77) MEN1KMT2APOLBL3MBTL1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS WAYNE STATE UNIVERSITY (US) 2017-05-04 US disclosed
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-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

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-20170121410-A1 COMPOSITIONS AND METHODS TO TREAT SOLID TUMORS ITGB8, MMP8, FUT8 DUSP3 4603/4885PTPN7 1934/4885MEN1 3438/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B DUSP3 3506/4885PTPN7 3222/4885MEN1 2635/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B DUSP3 3506/4885PTPN7 3222/4885MEN1 2635/4885

“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.