SCHEMBL2523786

SCHEMBL2523786

C=CCOc1ccc(C(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CYP2D6 P10635 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
ADAMTS4 O75173 1/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.38
MEN1 O00255 1/20 0.38
APOBEC3A P31941 1/20 0.38
CASP6 P55212 1/20 0.38

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
SCHEMBL2521740 0.88 ACACB (0.43) MAPTCYP2D6ADRB2ADRB1ADRB3
SCHEMBL2525919 0.84 CYP2D6 (0.43) MAPTCYP2D6ADRB2ADRB1ADRB3
SCHEMBL2217469 0.84 MAPT (0.43) MAPTITGB3ITGA2BCTSSCTSK
SCHEMBL3350991 0.82 PTPN1 (0.50) ADAMTS4NPC1RAB9ASMN1; SMN2PPARA
SCHEMBL16448169 0.82 PPARG (0.48) ALDH1A1CTSSCTSKRAB9ATRPA1
SCHEMBL20397924 0.82 PPARG (0.48) ALDH1A1CTSSCTSKRAB9ATRPA1
SCHEMBL18262598 0.82 PPARG (0.48) ALDH1A1CTSSCTSKRAB9ATRPA1
SCHEMBL31737717 0.80 CTSS (0.46) MAPTCYP2D6ITGB3ITGA2BADRB2
SCHEMBL704892 0.79 CTSK (0.45) MAPTCYP2D6GAACTSSCTSK
SCHEMBL8038968 0.79 CTSK (0.45) MAPTCYP2D6GAACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN MAPT 2062/4885CYP2D6 1897/4885ITGB3 2966/4885

“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.