SCHEMBL800324

SCHEMBL800324

C#CCC(NC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.61
USP2 O75604 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FOLH1 Q04609 3/20 0.55
CA9 Q16790 8/20 0.55
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
ALPL P05186 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
ATM Q13315 1/20 0.49
PLEC Q15149 1/20 0.49
CA1 P00915 6/20 0.49
CA2 P00918 6/20 0.49
SLC5A2 P31639 1/20 0.48
ESR1 P03372 1/20 0.47
CA12 O43570 3/20 0.47
DNASE1L3 Q13609 1/20 0.47
PRMT1 Q99873 1/20 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
SCHEMBL92536 0.85 USP2 (0.62) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL17897315 0.85 ALB (0.69) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL20053383 0.84 USP2 (0.66) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL13656547 0.83 USP2 (0.72) ALBUSP2L3MBTL1CA9MEN1
SCHEMBL10153957 0.82 USP2 (0.66) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL20143683 0.82 USP2 (0.60) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL10138306 0.81 USP2 (0.69) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL1437042 0.81 USP2 (0.78) ALBUSP2L3MBTL1CA9MEN1
SCHEMBL19448766 0.80 ALB (0.58) ALBUSP2L3MBTL1FOLH1CA9
SCHEMBL16153102 0.80 USP2 (0.64) ALBUSP2L3MBTL1FOLH1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8410028-B2 Methods for synthesis of encoded libraries GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
EP-1910538-B1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES PRAECIS PHARM INC (US) 2011-04-27 EP disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
US-20070224607-A1 Methods for identifying compounds of interest using encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-09-27 US disclosed
WO-2007053358-A2 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES PRAECIS PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070042401-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2007-02-22 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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT ALB 4629/4885USP2 3186/4885L3MBTL1 1896/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT ALB 4629/4885USP2 3186/4885L3MBTL1 1896/4885

“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.