SCHEMBL8260490

SCHEMBL8260490

COC(=O)c1cccc(NC(=O)C(N)CCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CASR P41180 2/20 0.47
ALDH1A1 P00352 2/20 0.46
ERAP2 Q6P179 4/20 0.45
LNPEP Q9UIQ6 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 2/20 0.44
SIRT5 Q9NXA8 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
BRD4 O60885 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
SCHEMBL12214968 1.00 CA1 (0.51) CA1CA2CASRALDH1A1ERAP2
SCHEMBL2928021 0.85 MEN1 (0.53) CA1CA2ALDH1A1SIRT5MEN1
SCHEMBL18758851 0.83 CA1 (0.57) CA1CA2ALDH1A1SIRT5MEN1
SCHEMBL1637143 0.83 LNPEP (0.54) ALDH1A1ERAP2LNPEPHSD17B10GAA
SCHEMBL15233242 0.81 CA1 (0.48) CA1CA2SIRT5MEN1GAA
Hydrochloric Acid SCHEMBL5654664 0.78 ANPEP (0.52) ERAP2LNPEPRAB9ASIRT5HDAC4
SCHEMBL15789054 0.77 RAB9A (0.61) CASRALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL8259040 0.77 CA1 (0.49) CA1CA2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12214967 0.77 CA1 (0.49) CA1CA2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4599955 0.76 TDP1 (0.52) CA1CA2MEN1GAAKMT2A

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
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
EP-1836159-B1 Antibiotic binaphthyl derivatives UNIV WOLLONGONG (AU) 2013-04-10 EP 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
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN CA1 4159/4885CA2 4302/4885CASR 4738/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN CA1 4022/4885CA2 4148/4885CASR 4734/4885

“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.