SCHEMBL26178100

SCHEMBL26178100

CCC(=O)C(=O)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 3/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
EPHX1 P07099 7/20 0.52
EPHX2 P34913 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL13627154 0.98 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL11936429 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL29843924 0.80 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL8165938 0.79 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL2377367 0.79 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL23736058 0.79 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL3076504 0.79 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL931108 0.78 NPSR1 (0.62) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL931220 0.78 NPSR1 (0.62) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL19669665 0.78 NPSR1 (0.62) SMN1; SMN2NPC1RAB9AMAPTEPHX1

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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
CN-109096139-B Preparation method of alpha-carbonyl amide derivative 贵州大学 2021-03-02 CN 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL SMN1; SMN2 3879/4885NPC1 545/4885RAB9A 2263/4885

“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.