SCHEMBL3469950

SCHEMBL3469950

CC(C)C[C@H](N)B(O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)OC(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
KMT2A Q03164 2/20 0.40
REN P00797 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PSMB5 P28074 3/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
PSMB8 P28062 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCB1 P08183 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL233988 0.80 MMP2 (0.48) MMP2MMP9MMP8PSMB5ALDH1A1
SCHEMBL2295176 0.77 PSMB5 (0.47) MMP2MMP9MMP8KMT2APSMB5
Hydrochloric Acid SCHEMBL2297582 0.76 PSMB5 (0.47) MMP2MMP9MMP8KMT2APSMB5
SCHEMBL1406331 0.76 MMP2 (0.41) MMP2MMP9MMP8RENPSMB5
Alanine SCHEMBL671385 0.75 PSMB5 (0.46) MMP2MMP9MMP8KMT2APSMB5
SCHEMBL901425 0.75 ALDH1A1 (0.38) MMP2MMP9MMP8KMT2APSMB5
Leucine SCHEMBL3812226 0.73 MMP2 (0.48) MMP2MMP9MMP8PSMB5ALDH1A1
Leucine SCHEMBL2297615 0.73 MMP2 (0.49) MMP2MMP9MMP8RENPSMB5
Leucine SCHEMBL1406254 0.72 MMP2 (0.50) MMP2MMP9MMP8ALDH1A1KDM4E
SCHEMBL10491053 0.71 KMT2A (0.59) MMP8KMT2ANPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953013-B2 Biomarkers of response to NAE inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
US-10662477-B2 Biomarkers and methods to predict response to inhibitors and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
EP-2904115-B1 BIOMARKERS AND METHODS TO PREDICT RESPONSE TO INHIBITORS AND USES THEREOF MILLENNIUM PHARM INC (US) 2018-08-08 EP disclosed
EP-2771489-B1 BIOMARKERS OF RESPONSE TO NAE INHIBITORS MILLENNIUM PHARM INC (US) 2018-07-04 EP disclosed
US-9920373-B2 Biomarkers of response to proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
EP-2776586-B1 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2018-03-07 EP disclosed
EP-2776043-B1 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2018-02-21 EP disclosed
US-20170105995-A1 BIOMARKERS OF RESPONSE TO NAE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-20 US disclosed
US-20160312309-A1 ASSESSMENT OF CHROMOSOMAL ALTERATIONS TO PREDICT CLINICAL OUTCOME OF BORTEZOMIB TREATMENT MILLENNIUM PHARMACEUTICALS, INC. 2016-10-27 US disclosed
US-20150240315-A1 BIOMARKERS AND METHODS TO PREDICT RESPONSE TO INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-27 US disclosed
US-20150152502-A1 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-04 US disclosed
US-20100086922-A1 Assessment of chromosomal alterations to predict clinical outcome of bortezomib treatment MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-08 US disclosed
EP-2046973-A2 FOR THE IDENTIFICATION, ASSESSMENT, AND TREATMENT OF PATIENTS WITH CANCER THERAPY MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-15 EP disclosed
WO-2008021183-A9 FOR THE IDENTIFICATION, ASSESSMENT, AND TREATMENT OF PATIENTS WITH CANCER THERAPY MILLENNIUM PHARM INC (US) 2008-07-24 WO disclosed
WO-2008021183-A2 FOR THE IDENTIFICATION, ASSESSMENT, AND TREATMENT OF PATIENTS WITH CANCER THERAPY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 WO 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-20150152502-A1 BIOMARKERS OF RESPONSE TO PROTEASOME INHIBITORS PSMB4, PSMB1, PSME3 MMP2 2441/4885MMP9 3831/4885MMP8 2604/4885

“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.