SCHEMBL2521345

SCHEMBL2521345

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ACACB O00763 5/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LMNA P02545 1/20 0.40
CHRNB2 P17787 4/20 0.40
CHRNB4 P30926 4/20 0.40
CHRNA3 P32297 4/20 0.40
CHRNA4 P43681 4/20 0.40
ACACA Q13085 1/20 0.40
MEN1 O00255 1/20 0.39
APOBEC3A P31941 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL2525919 0.85 CYP2D6 (0.43) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL22215913 0.78 MAPT (0.47) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL22982331 0.76 AKR1C3 (0.51) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL2521740 0.74 ACACB (0.43) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL2186966 0.73 ITGB3 (0.62) LMNA
SCHEMBL12214839 0.73 ITGB3 (0.62) LMNA
SCHEMBL2525703 0.73 ITGB3 (0.62) LMNA
SCHEMBL9628728 0.73 AKR1C3 (0.50) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL9714911 0.72 CA12 (0.46) NPC1POLBMAPTRAB9ASMN1; SMN2
SCHEMBL9152727 0.71 POLB (0.48) NPC1POLBMAPTRAB9ASMN1; SMN2

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 NPC1 369/4885POLB 3051/4885MAPT 2062/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN NPC1 503/4885POLB 3618/4885MAPT 2628/4885

“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.