SCHEMBL6324935

SCHEMBL6324935

CCCn1cnc(C[C@@H](C(=O)O)N2CC[C@H](NC(=O)OCc3ccccc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
CPB2 Q96IY4 7/20 0.42
HSD11B1 P28845 1/20 0.42
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CPB1 P15086 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
DPP4 P27487 3/20 0.40
KCNH2 Q12809 3/20 0.40
DPP7 Q9UHL4 3/20 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
SCHEMBL8347734 0.94 CTSL (0.46) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL6324698 0.93 CTSL (0.46) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL6328692 0.92 CTSL (0.47) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL6327080 0.89 CPB1 (0.48) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL6404005 0.89 CPB1 (0.48) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL8364526 0.88 CTSK (0.46) CTSLCTSBCTSKHSD11B1TSHR
SCHEMBL8349084 0.88 CTSL (0.46) CTSLCTSBCTSKHSD11B1TSHR
SCHEMBL6325305 0.87 CPB1 (0.43) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL6327076 0.85 CTSL (0.48) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL6333894 0.84 KDM4D (0.46) CPB2CPB1

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 5 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
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 CTSL 2299/4885CTSB 3870/4885CTSK 3370/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 CTSL 2299/4885CTSB 3870/4885CTSK 3370/4885

“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.