SCHEMBL440212

SCHEMBL440212

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NC(=O)CBr)C(O)C(C)O1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.77
▸ KMT2A Q03164 9/20 0.77
▸ THRB P10828 8/20 0.77
▸ BLM P54132 7/20 0.77
▸ RECQL P46063 6/20 0.77
▸ TOP2A P11388 5/20 0.77
▸ TDP1 Q9NUW8 5/20 0.77
▸ HIF1A Q16665 5/20 0.77
▸ SMN1; SMN2 Q16637 5/20 0.77
▸ BRCA1 P38398 5/20 0.77
▸ MAPT P10636 4/20 0.77
▸ MAPK1 P28482 4/20 0.77
▸ HTT P42858 4/20 0.77
▸ PTGS1 P23219 3/20 0.77
▸ CHRM1 P11229 3/20 0.77
▸ TBXA2R P21731 3/20 0.77
▸ KDM4E B2RXH2 3/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ ABCB1 P08183 3/20 0.77
▸ FYN P06241 2/20 0.77

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
SCHEMBL16620307 0.95 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL
SCHEMBL9178542 0.94 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL30239106 0.94 MEN1 (0.77) MEN1KMT2ATHRBBLMRECQL
SCHEMBL26961130 0.94 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL27393066 0.93 MEN1 (0.77) MEN1KMT2ATHRBBLMRECQL
SCHEMBL25228806 0.93 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20307182 0.93 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL10014019 0.93 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL30465123 0.93 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL16622415 0.93 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL

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
EP-1720575-B1 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES IMMUNOMEDICS INC (US) 2015-05-20 — — EP disclosed
US-8158573-B2 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. (US) 2012-04-17 — — US disclosed
US-20120063993-A1 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES IMMUNOMEDICS, INC. (US) 2012-03-15 — — US disclosed
US-7405320-B2 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. (US) 2008-07-29 — — US disclosed
EP-1720575-A2 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES Immunomedics Inc. (US) 2006-11-15 — — EP disclosed
WO-2005077071-A2 THERAPEUTIC AND DIAGNOSTIC CONJUGATES FOR USE WITH MULTISPECIFIC ANTIBODIES IMMUNOMEDICS, INC. (US) 2005-08-25 — — WO disclosed
US-20050002945-A1 Therapeutic and diagnostic conjugates for use with multispecific antibodies IMMUNOMEDICS, INC. 2005-01-06 — — 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 (1 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-20050002945-A1 Therapeutic and diagnostic conjugates for use with multispecific antibodies TST, GLUL, TGM3 MEN1 1321/4885KMT2A 1001/4885THRB 2087/4885

“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.

Send feedback