Alanine

Alanine

SCHEMBL3470608

CC(C)C[C@H](N)B(O)O.C[C@H](N)C(=O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)OS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 2/20 0.39
PSMB5 P28074 3/20 0.36
LNPEP Q9UIQ6 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PSMB1 P20618 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Alanine SCHEMBL601223 0.84 ITGB3 (0.44) NTSR1PSMB5TSHRSLC40A1KEAP1
SCHEMBL232948 0.82 ITGB3 (0.45) NTSR1PSMB5TSHRSLC40A1KEAP1
Alanine SCHEMBL671385 0.79 PSMB5 (0.46) PSMB5TSHRMMP2MMP9MMP8
SCHEMBL2295176 0.77 PSMB5 (0.47) PSMB5TSHRMMP2MMP9MMP8
Alanine SCHEMBL15141495 0.76 ALDH1A1 (0.43) NTSR1TSHRHTTALDH1A1HPGD
Hydrochloric Acid SCHEMBL2297582 0.76 PSMB5 (0.47) PSMB5TSHRMMP2MMP9MMP8
Leucine SCHEMBL3814957 0.76 ITGB3 (0.45) NTSR1TSHRSLC40A1KEAP1NFE2L2
SCHEMBL901428 0.74 ALDH1A1 (0.44) NTSR1TSHRHTTALDH1A1HPGD
SCHEMBL1406185 0.74 GAA (0.38) NTSR1PSMB5TSHRSLC40A1KEAP1
SCHEMBL7217344 0.74 MAPT (0.53) NTSR1PSMB5MMP2MMP9ALDH1A1

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 11 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
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

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 NTSR1 4259/4885PSMB5 14/4885LNPEP 3384/4885

“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.