Alanine

Alanine

SCHEMBL601223

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
NTSR1 P30989 2/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MMP1 P03956 1/20 0.42
ADAM17 P78536 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL232948 0.98 ITGB3 (0.45) ITGB3ITGAVNTSR1CYP3A4CYP2C9
Leucine SCHEMBL3814957 0.90 ITGB3 (0.45) ITGB3ITGAVNTSR1CYP3A4CYP2C9
Leucine SCHEMBL1414045 0.89 ITGB3 (0.47) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL7217344 0.89 MAPT (0.53) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL7161574 0.85 NPSR1 (0.48) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL3194343 0.85 ITGB3 (0.43) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL1406185 0.84 GAA (0.38) ITGB3ITGAVNTSR1CYP3A4CYP2C9
Alanine SCHEMBL3470608 0.84 NTSR1 (0.39) NTSR1MEN1KMT2AKEAP1NFE2L2
SCHEMBL31238101 0.83 PSMB5 (0.54) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL5098994 0.79 NTSR1 (0.58) ITGB3ITGAVNTSR1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002101012-A9 REGULATION OF TRANSGENE EXPRESSION FOLLOWING AAV TRANSDUCTION CHILDREN S HOSPITAL RES FOUNDA (US) 2003-12-18 WO claimed
US-20030003583-A1 Regulation of transgene expression following AAV transduction CHILDREN'S HOSPITAL RESEARCH FOUNDATION 2003-01-02 US claimed
WO-2002101012-A2 REGULATION OF TRANSGENE EXPRESSION FOLLOWING AAV TRANSDUCTION CHILDREN'S HOSPITAL RESEARCH FOUNDATION (US) 2002-12-19 WO claimed
US-9963747-B2 Methods for the identification, assessment, and treatment of patients with cancer therapy MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-08 US disclosed
US-20180117069-A1 METHODS OF TREATMENT OF CANCER MILLENNIUM PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-9827246-B2 Biomarkers of response to NAE inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
EP-2687608-B1 Methods for the identification, assessment, and treatment of patients with cancer therapy MILLENNIUM PHARM INC (US) 2017-02-08 EP disclosed
US-20170023577-A1 METHODS FOR THE IDENTIFICATION, ASSESSMENT, AND TREATMENT OF PATIENTS WITH PROTEASOME INHIBITION THERAPY MILLENNIUM PHARM INC (US) 2017-01-26 US disclosed
US-9500656-B2 Methods for the identification, assessment, and treatment of patients with cancer therapy MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20160139132-A1 Method of Diagnosis or Prognosis of a Neoplasm Comprising Determining the Level of Expression of a Protein in Stromal Cells Adjacent to the Neoplasm THOMAS JEFFERSON UNIVERSITY (US) 2016-05-19 US disclosed
EP-3021120-A1 DIAGNOSIS, PROGNOSIS, THERAPEUTICS AND METHODS FOR TREATING NEOPLASTIC DEISEASES COMPRISING DETERMINING THE LEVEL OF CAVEOLIN-1 IN A STROMAL CELL SAMPLE Lisanti, Michael, P. (US) 2016-05-18 EP disclosed
EP-0979096-B1 TREATMENT OF INFARCTS THROUGH INHIBITION OF NF-KAPPAB MILLENNIUM PHARM INC (US) 2003-05-14 EP disclosed
US-20030069189-A1 Treatment of infarcts MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 US disclosed
US-20030003583-A1 Regulation of transgene expression following AAV transduction CHILDREN'S HOSPITAL RESEARCH FOUNDATION 2003-01-02 US disclosed
US-20010053760-A1 Treatment of infarcts BRAND STEPHEN J (US) 2001-12-20 US disclosed
US-6271199-B2 Treatment of infarcts MILLENNIUM PHARMACEUTICALS, INC. 2001-08-07 US disclosed
US-20010002391-A1 TREATMENT OF INFARCTS PROSCRIPT, INC. 2001-05-31 US disclosed
EP-0979096-A1 TREATMENT OF INFARCTS THROUGH INHIBITION OF NF-KAPPAB PROSCRIPT, INC. (US) 2000-02-16 EP disclosed
WO-1998035691-A9 TREATMENT OF INFARCTS THROUGH INHIBITION OF NF-KAPPAB 1999-01-14 WO disclosed
WO-1998035691-A1 TREATMENT OF INFARCTS THROUGH INHIBITION OF NF-KAPPAB PROSCRIPT, INC. (US) 1998-08-20 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-20180117069-A1 METHODS OF TREATMENT OF CANCER RELA, PSMB5, NFKBIA ITGB3 3996/4885ITGAV 4165/4885NTSR1 3567/4885

“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.