SCHEMBL3036863

SCHEMBL3036863

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

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 6/20 0.86
PAX8 Q06710 5/20 0.86
HSP90AA1 P07900 4/20 0.86
MEN1 O00255 8/20 0.85
KMT2A Q03164 8/20 0.85
THRB P10828 7/20 0.85
BLM P54132 7/20 0.85
RECQL P46063 6/20 0.85
HIF1A Q16665 6/20 0.85
SMN1; SMN2 Q16637 6/20 0.85
BRCA1 P38398 6/20 0.85
TOP2A P11388 5/20 0.85
TDP1 Q9NUW8 5/20 0.85
MAPT P10636 5/20 0.85
MAPK1 P28482 4/20 0.85
STAT6 P42226 4/20 0.85
PTGS1 P23219 3/20 0.85
CHRM1 P11229 3/20 0.85
TBXA2R P21731 3/20 0.85
KDM4E B2RXH2 3/20 0.85

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
SCHEMBL10182791 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL20382875 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
Hydroxyrubicin SCHEMBL30052370 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL17991858 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL18751202 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL14497179 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL13417668 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL19732415 0.94 MEN1 (0.87) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL18558770 0.93 MEN1 (0.85) S100A4PAX8HSP90AA1MEN1KMT2A
SCHEMBL10895470 0.92 MEN1 (0.82) S100A4PAX8HSP90AA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214969-B1 MODIFIED DECAPEPTPIDE; ANTITUMOR AGENTS; ANTICARCINOGENIC AGENTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2001-04-10 US claimed
WO-1992022322-A1 LHRH ANALOGS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-12-23 WO claimed
EP-0450461-A2 LHRH Analogs The Administrators of The Tulane Educational Fund (US) 1991-10-09 EP claimed
US-20200339990-A1 RNAi CONJUGATES, PARTICLES AND FORMULATIONS THEREOF TVA (ABC), LLC 2020-10-29 US disclosed
EP-3454908-A1 TARGETED CONSTRUCTS AND FORMULATIONS THEREOF Tarveda Therapeutics, Inc. (US) 2019-03-20 EP disclosed
WO-2018222987-A1 TARGETED CONSTRUCTS TARVEDA THERAPEUTICS, INC. (US) 2018-12-06 WO disclosed
US-20180296685-A1 TARGETED CONSTRUCTS AND FORMULATIONS THEREOF TVA (ABC), LLC 2018-10-18 US disclosed
US-20180273948-A1 RNAi CONJUGATES, PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2018-09-27 US disclosed
US-20180258411-A1 COMPOSITIONS AND METHODS FOR GENOME EDITING TVA (ABC), LLC 2018-09-13 US disclosed
EP-3353309-A1 COMPOSITIONS AND METHODS FOR GENOME EDITING Tarveda Therapeutics, Inc. (US) 2018-08-01 EP disclosed
WO-2017210246-A2 PENICILLAMINE CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2017-12-07 WO disclosed
EP-1900742-A1 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AEterna Zentaris GmbH (DE) 2008-03-19 EP disclosed
WO-2008028934-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-03-13 WO disclosed
US-6214969-B1 MODIFIED DECAPEPTPIDE; ANTITUMOR AGENTS; ANTICARCINOGENIC AGENTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2001-04-10 US disclosed
US-6214969-B1 MODIFIED DECAPEPTPIDE; ANTITUMOR AGENTS; ANTICARCINOGENIC AGENTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2001-04-10 US disclosed
WO-1992022322-A1 LHRH ANALOGS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-12-23 WO disclosed
WO-1992022322-A1 LHRH ANALOGS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1992-12-23 WO disclosed
EP-0450461-A2 LHRH Analogs The Administrators of The Tulane Educational Fund (US) 1991-10-09 EP disclosed
EP-0450461-A2 LHRH Analogs The Administrators of The Tulane Educational Fund (US) 1991-10-09 EP disclosed
EP-0450480-A2 Somatostatin Analogues The Administrators of The Tulane Educational Fund (US) 1991-10-09 EP 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-20180296685-A1 TARGETED CONSTRUCTS AND FORMULATIONS THEREOF PAICS, SEPTIN8, SEPTIN7 S100A4 3618/4885PAX8 3375/4885HSP90AA1 2560/4885

“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.