SCHEMBL10051741

SCHEMBL10051741

[2H]NC(=O)OCc1ccc(NC(=O)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LTA4H P09960 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL19618196 0.90 MEN1 (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL21671263 0.83 MEN1 (0.56) MEN1KMT2ACA12CA1CA2
SCHEMBL25002073 0.82 MEN1 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL19042827 0.82 MEN1 (0.58) MEN1KMT2ACA12CA1CA2
SCHEMBL18268264 0.79 MEN1 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL16252543 0.79 KMT2A (0.57) MEN1KMT2ACA12CA1CA2
SCHEMBL22394067 0.78 MEN1 (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL22855985 0.76 MEN1 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL19901167 0.76 KMT2A (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL19339964 0.75 KMT2A (0.51) MEN1KMT2ACA12CA1CA2

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-20130209494-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20130204033-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-08-08 US disclosed
US-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-08-01 US disclosed
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2013-07-25 US disclosed
US-20130156788-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 OXFORD BIOTHERAPEUTICS LTD (GB) 2013-06-20 US disclosed
US-8420084-B2 Fully human antibodies specific to CADM1 MEDAREX, INC. (US) 2013-04-16 US disclosed
US-8394922-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, INC. (US) 2013-03-12 US disclosed
US-20120093826-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 OXFORD BIOTHERAPEUTICS LTD (GB) 2012-04-19 US disclosed
US-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 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 (7 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-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885CA12 1807/4885
US-20120093826-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 FCGR1A, FCGR2A, FCGR3B MEN1 1664/4885KMT2A 1990/4885CA12 640/4885
US-20130189256-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885CA12 1807/4885
US-20130209494-A1 ENEDIYNE COMPOUNDS, CONJUGATES THEREOF, AND USES AND METHODS THEREFOR ECI1, DHFR, NQO1 MEN1 197/4885KMT2A 3620/4885CA12 4148/4885
US-20130156788-A1 FULLY HUMAN ANTIBODIES SPECIFIC TO CADM1 FCGR1A, FCGR2A, FCGR3B MEN1 1664/4885KMT2A 1990/4885CA12 640/4885
US-20130197259-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885CA12 1807/4885
US-20130204033-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MEN1 333/4885KMT2A 2238/4885CA12 1807/4885

“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.