SCHEMBL6335407

SCHEMBL6335407

CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
KDM4D Q6B0I6 7/20 0.43
SIRT2 Q8IXJ6 10/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
CPB2 Q96IY4 1/20 0.41

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
SCHEMBL6326986 1.00 KCNA3 (0.43) KCNA3KDM4DSIRT2CKS1BSKP1
SCHEMBL6335174 1.00 KCNA3 (0.43) KCNA3KDM4DSIRT2CKS1BSKP1
SCHEMBL6324984 0.95 SIRT2 (0.41) KCNA3KDM4DSIRT2
SCHEMBL8348613 0.93 SIRT2 (0.46) KCNA3KDM4DSIRT2CKS1BSKP1
SCHEMBL8366352 0.93 SIRT2 (0.46) KCNA3KDM4DSIRT2CKS1BSKP1
SCHEMBL6329501 0.87 CTSL (0.46) SIRT2
SCHEMBL8364805 0.83 SIRT2 (0.47) SIRT2
SCHEMBL6333894 0.82 KDM4D (0.46) KDM4DCPB2
SCHEMBL6400934 0.78 KDM4D (0.47) KDM4D
SCHEMBL6325415 0.78 KDM4D (0.47) KDM4D

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-6919457-B2 3-(imidazolyl)-2-aminopropanoic acids PFIZER, INC. (US) 2005-07-19 US disclosed
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids PFIZER INC 2004-09-30 US disclosed
US-6759426-B2 RESPIRATORY SYSTREM DISORDERS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISORDERS PFIZER INC 2004-07-06 US disclosed
WO-2003061653-A9 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LTD (GB) 2003-12-24 WO disclosed
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids PFIZER INC. 2003-10-09 US disclosed
WO-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 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-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids FGB, F2, F11 KCNA3 3459/4885KDM4D 3673/4885SIRT2 3683/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 KCNA3 3459/4885KDM4D 3673/4885SIRT2 3683/4885

“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.