SCHEMBL13397295

SCHEMBL13397295

COC(=O)CC(CO)NC(=O)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 1/20 0.39
PADI4 Q9UM07 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL13397659 0.78 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14685063 0.78 DPP7 (0.46) MEN1KMT2A
SCHEMBL13397272 0.77 LMNA (0.42) PADI1PADI4LMNAPOLBSMN1; SMN2
SCHEMBL13528905 0.77 CYP3A4 (0.39) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL10809124 0.76 PADI1 (0.47) PADI1PADI4LMNASMN1; SMN2MEN1
SCHEMBL10808294 0.76 PADI1 (0.47) PADI1PADI4LMNAPOLBSMN1; SMN2
SCHEMBL13397260 0.76 PADI1 (0.39) PADI1PADI4LMNAPOLBSMN1; SMN2
SCHEMBL10811375 0.76 PADI1 (0.47) PADI1PADI4LMNAPOLBSMN1; SMN2
SCHEMBL10813060 0.74 PADI1 (0.45) PADI1PADI4LMNASMN1; SMN2HPGD
SCHEMBL13397265 0.74 POLB (0.48) POLBHSD17B10HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105914-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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-20100105914-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 PADI1 709/4885PADI4 651/4885LMNA 222/4885

“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.