SCHEMBL12214542

SCHEMBL12214542

CC(C)CCOC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.50
▸ ANPEP P15144 6/20 0.46
▸ RNPEP Q9H4A4 2/20 0.46
▸ DNPEP Q9ULA0 2/20 0.46
▸ SLC1A3 P43003 2/20 0.41
▸ SLC1A2 P43004 2/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP19A1 P11511 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL13144609 0.89 SLC7A5 (0.56) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL23408836 0.88 CYP19A1 (0.39) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL21283383 0.88 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL7647620 0.85 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL14095412 0.85 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL21264570 0.85 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL22392039 0.85 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL28435189 0.85 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL502535 0.85 SLC7A5 (0.44) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL17195667 0.84 CYP19A1 (0.42) SLC7A5SLC1A3SLC1A2SLC1A1CA12

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
EP-2885415-A1 TWO STAGE PRODUCTION OF HIGHER ALCOHOLS Easel Biotechnologies LLC (US) 2015-06-24 — — EP disclosed
WO-2014028642-A1 TWO STAGE PRODUCTION OF HIGHER ALCOHOLS EASEL BIOTECHNOLOGIES, LLC (US) 2014-02-20 — — WO disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 — — US disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 — — US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 — — US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 — — US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 — — US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 — — US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 — — US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 — — 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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN SLC7A5 1877/4885ANPEP 11/4885RNPEP 71/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN SLC7A5 1833/4885ANPEP 9/4885RNPEP 59/4885

“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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