SCHEMBL14664150

SCHEMBL14664150

CC(C)(C)C(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.45
HTR2C P28335 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FKBP1A P62942 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL8290690 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL15743850 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL3600148 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL3845188 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL3600152 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL9951077 0.86 KLK7 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL7420306 0.86 KLK7 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19HTR2C
SCHEMBL19313922 0.84 KMT2A (0.49) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL20886535 0.84 KMT2A (0.49) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29816738 0.84 KMT2A (0.49) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SMN1; SMN2 4709/4885NPC1 218/4885RAB9A 1449/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 SMN1; SMN2 4709/4885NPC1 218/4885RAB9A 1449/4885

“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.