SCHEMBL2164037

SCHEMBL2164037

CCC(C)(NCC(=O)O)n1cnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.45
APAF1 O14727 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ASAH1 Q13510 5/20 0.41
FDPS P14324 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
HDAC8 Q9BY41 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
SCHEMBL6174967 0.74 FDPS (0.46) EGLN3APAF1NPC1RAB9AASAH1
SCHEMBL22393709 0.74 TDP1 (0.47) APAF1FDPSSMN1; SMN2HSD17B10LMNA
SCHEMBL3796582 0.73 SMN1; SMN2 (0.44) EGLN3APAF1NPC1RAB9AASAH1
SCHEMBL11578320 0.72 NPC1 (0.43) EGLN3APAF1NPC1RAB9AASAH1
SCHEMBL10683773 0.72 APAF1 (0.44) EGLN3APAF1NPC1RAB9AASAH1
SCHEMBL14268957 0.71 ALDH1A1 (0.47) EGLN3APAF1NPC1RAB9AASAH1
SCHEMBL2298534 0.71 EGLN3 (0.45) EGLN3APAF1NPC1RAB9AASAH1
SCHEMBL670048 0.70 ASAH1 (0.48) EGLN3APAF1NPC1RAB9AASAH1
SCHEMBL6175276 0.70 FDPS (0.46) EGLN3APAF1NPC1RAB9AFDPS
SCHEMBL2614317 0.69 NPC1 (0.49) NPC1RAB9AFDPSKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 EGLN3 2279/4885APAF1 90/4885NPC1 252/4885

“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.