SCHEMBL6424463

SCHEMBL6424463

C[C@@](CCCNC(=N)N)(NO)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.33
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL9114925 0.87 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL9112258 0.82 ALOX15 (0.38) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL8955182 0.80 ALOX15 (0.32) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL161929 0.79 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL6431682 0.79 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL202490 0.79 ARG1 (0.47) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL263015 0.79 ALOX15 (0.40) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11674300 0.78 ARG1 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11674295 0.78 ARG1 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL19686889 0.77 ALOX15 (0.36) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967219-B2 Reversing or preventing premature vascular senescence CORNELL RESEARCH FOUNDATION, INC. (US) 2005-11-22 US disclosed
US-6784178-B2 ADMINISTERING TO THE PATIENT AN ENDOTHELIAL DYSFUNCTION REVERSING OR DIMINISHING EFFECTIVE AMOUNT OF AN AGENT WHICH IS SELECTED FROM THE GROUP CONSISTING OF NITRIC OXIDE BIOACTIVITY INCREASING HYDROXYGUANIDINES AND SALTS CORNELL RESEARCH FOUNDATION, INC. 2004-08-31 US disclosed
EP-1441712-A2 REVERSING OR PREVENTING PREMATURE VASCULAR SENESCENCE CORNELL RESEARCH FOUNDATION, INC. (US) 2004-08-04 EP disclosed
US-20030212135-A1 Pharmacotherapy for vascular dysfuntion associated with deficient nitric oxide bioactivity GROSS STEVEN S (US) 2003-11-13 US disclosed
WO-2003032804-A2 REVERSING OR PREVENTING PREMATURE VASCULAR SENESCENCE CORNELL RESEARCH FOUNDATION, INC. (US) 2003-04-24 WO disclosed
US-20030073747-A1 Reversing or preventing premature vascular senescence NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-17 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 (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-20030212135-A1 Pharmacotherapy for vascular dysfuntion associated with deficient nitric oxide bioactivity NOS1, NOS2, NOS3 ALOX15 204/4885MEN1 2625/4885CYP1A2 1235/4885
US-20030073747-A1 Reversing or preventing premature vascular senescence AGER, GLA, POT1 ALOX15 1264/4885MEN1 2926/4885CYP1A2 4684/4885

“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.