SCHEMBL13627154

SCHEMBL13627154

CCC(=O)C(=O)NC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
GAA P10253 1/20 0.49
EPHX1 P07099 7/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
EPHX2 P34913 3/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL26178100 0.98 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL11936429 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL29843924 0.82 ALDH1A1 (0.39) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL6850969 0.78 SMN1; SMN2 (0.94) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL827936 0.77 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMAPTEPHX1
SCHEMBL12236955 0.77 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL23736058 0.76 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL3076504 0.76 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL2377367 0.76 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL8165938 0.76 NPC1 (1.00) SMN1; SMN2NPC1RAB9AMAPTMAPK1

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 SMN1; SMN2 1553/4885NPC1 265/4885RAB9A 2563/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV SMN1; SMN2 3613/4885NPC1 481/4885RAB9A 2344/4885

“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.