SCHEMBL17349756

SCHEMBL17349756

CCCCCC(=O)N[C@H]1Cc2cccc(C(=O)OCOC(=O)C(C)(C)C)c2OB1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.34
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ CNR1 P21554 4/20 0.32
▸ CNR2 P34972 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL17349986 0.99 NAMPT (0.35) NAMPTPRKCBPRKCAPRKCHPRKCE
SCHEMBL17349750 0.97 PRKCB (0.33) NAMPTPRKCBPRKCAPRKCHPRKCE
SCHEMBL17337366 0.94 MTNR1A (0.36) NAMPTPRKCBPRKCAPRKCHPRKCE
SCHEMBL17337362 0.94 MTNR1A (0.36) NAMPTPRKCBPRKCAPRKCHPRKCE
SCHEMBL23130069 0.91 PRKCB (0.33) PRKCBPRKCAPRKCHPRKCEPRKCD
SCHEMBL17347740 0.91 PRKCB (0.33) PRKCBPRKCAPRKCHPRKCEPRKCD
SCHEMBL17349983 0.90 NAMPT (0.36) NAMPTCNR1CNR2TSHRTP53
SCHEMBL17349775 0.90 PRKCB (0.34) PRKCBPRKCAPRKCHPRKCEPRKCD
SCHEMBL17337154 0.90 PRKCB (0.34) PRKCBPRKCAPRKCHPRKCEPRKCD
SCHEMBL17337157 0.90 PRKCB (0.34) PRKCBPRKCAPRKCHPRKCEPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-17 — — 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 (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-20150361107-A1 ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS SI, ALPI, GAA NAMPT 808/4885PRKCB 3762/4885PRKCA 3994/4885

“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.

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