SCHEMBL2521348

SCHEMBL2521348

C=CCOc1ccc(C[C@@H](C(=O)O)N(CC)C(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARA Q07869 15/20 0.42
PPARD Q03181 13/20 0.42
PPARG P37231 7/20 0.42
ACACB O00763 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL2525920 0.89 MEN1 (0.47) MEN1KMT2APPARAPPARDPPARG
SCHEMBL28599117 0.78 SLC7A5 (0.51) PPARAPOLB
SCHEMBL10540538 0.78 SLC7A5 (0.51) PPARAPOLB
SCHEMBL1944103 0.78 LDHA (0.57) MEN1KMT2APPARAPPARDPPARG
SCHEMBL524638 0.77 ITGB3 (0.59) MEN1KMT2ANPC1RAB9AMAPT
Water SCHEMBL2521640 0.77 SLC7A5 (0.50) PPARAPOLB
SCHEMBL455152 0.77 ITGB3 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8970225 0.77 FFAR1 (0.49) MEN1KMT2APPARAPPARDPPARG
SCHEMBL9784912 0.77 ITGB3 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29633941 0.77 ALDH1A1 (0.38) PPARAPPARDPPARGNPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MEN1 1669/4885KMT2A 4643/4885PPARA 3838/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN MEN1 1571/4885KMT2A 4562/4885PPARA 3696/4885

“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.