SCHEMBL9077488

SCHEMBL9077488

C[C@H](/N=C/c1ccc(Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.40
CYP3A4 P08684 2/20 0.40
NFKB1 P19838 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 2/20 0.39
PMP22 Q01453 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12865426 1.00 MIF (0.40) MIFCYP3A4NFKB1SMN1; SMN2CYP2C9
SCHEMBL9077491 1.00 MIF (0.40) MIFCYP3A4NFKB1SMN1; SMN2CYP2C9
SCHEMBL9078939 1.00 MIF (0.40) MIFCYP3A4NFKB1SMN1; SMN2CYP2C9
SCHEMBL8667692 0.85 MAPT (0.40) MIFNFKB1SMN1; SMN2NPC1RECQL
SCHEMBL4091240 0.85 MAPT (0.40) MIFNFKB1SMN1; SMN2NPC1RECQL
SCHEMBL4091245 0.85 MAPT (0.40) MIFNFKB1SMN1; SMN2NPC1RECQL
SCHEMBL6992245 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1
SCHEMBL7420415 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1
SCHEMBL7420416 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1
SCHEMBL6992247 0.83 NOS2 (0.49) MIFRECQLMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452974-B2 Stereoselective synthesis of metyrosine ATON PHARMA, INC. (US) 2016-09-27 US disclosed
US-9452974-B2 Stereoselective synthesis of metyrosine ATON PHARMA, INC. (US) 2016-09-27 US disclosed
US-20140350284-A1 STEREOSELECTIVE SYNTHESIS OF METYROSINE JPMORGAN CHASE BANK, N.A. 2014-11-27 US disclosed
US-20140350284-A1 STEREOSELECTIVE SYNTHESIS OF METYROSINE JPMORGAN CHASE BANK, N.A. 2014-11-27 US disclosed
US-8841486-B2 Stereoselective synthesis of metyrosine ATON PHARMA (US) 2014-09-23 US disclosed
US-8841486-B2 Stereoselective synthesis of metyrosine ATON PHARMA (US) 2014-09-23 US disclosed
US-20110104765-A1 STEREOSELECTIVE SYNTHESIS OF METYROSINE ATON PHARMA, INC. 2011-05-05 US disclosed
US-20110104765-A1 STEREOSELECTIVE SYNTHESIS OF METYROSINE ATON PHARMA, INC. 2011-05-05 US disclosed
US-5554753-A Catalytic enantioselective synthesis of α-amino acid derivatives by phase-transfer catalysis INDIANA UNIVERSITY FOUNDATION (US) 1996-09-10 US disclosed
WO-1995006029-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA - ALKYLATED AMINO ACID DERIVATIVES BY PHASE - TRANSFER CATALYSIS INDIANA UNIVERSITY FOUNDATION (US) 1995-03-02 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 (2 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-20110104765-A1 STEREOSELECTIVE SYNTHESIS OF METYROSINE PTMA, PTMS, METTL3 MIF 1786/4885CYP3A4 29/4885NFKB1 3596/4885
US-20140350284-A1 STEREOSELECTIVE SYNTHESIS OF METYROSINE PTMA, PTMS, METTL3 MIF 1786/4885CYP3A4 29/4885NFKB1 3596/4885

“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.