SCHEMBL15660596

SCHEMBL15660596

COC(=O)C1CC2(CCCC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.44
IMPDH2 P12268 3/20 0.39
PTPN1 P18031 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
NR1I2 O75469 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL30987654 1.00 PEPD (0.44) PEPDIMPDH2PTPN1HDAC8NR1H2
SCHEMBL15660593 1.00 PEPD (0.44) PEPDIMPDH2PTPN1HDAC8NR1H2
SCHEMBL27274306 0.94 PEPD (0.49) PEPDIMPDH2PTPN1HDAC8NR1H2
SCHEMBL12773345 0.94 PEPD (0.49) PEPDIMPDH2PTPN1HDAC8NR1H2
SCHEMBL13859052 0.94 PEPD (0.49) PEPDIMPDH2PTPN1HDAC8NR1H2
SCHEMBL12604939 0.92 HSD17B10 (0.36) PEPDIMPDH2HDAC8NR1I2HSD17B10
SCHEMBL10138525 0.92 HSD17B10 (0.36) PEPDIMPDH2HDAC8NR1I2HSD17B10
SCHEMBL30749399 0.88 PEPD (0.42) PEPDIMPDH2PTPN1HDAC8NR1H2
Hydrochloric Acid SCHEMBL27225687 0.87 PEPD (0.41) PEPDIMPDH2PTPN1HDAC8NR1H2
SCHEMBL12604940 0.86 HSD17B10 (0.42) HDAC8NR1I2HSD17B10LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912031-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-9561212-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-07 US disclosed
US-20160338999-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-24 US disclosed
US-20150252028-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-09-10 US disclosed
EP-2912031-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2015-09-02 EP disclosed
WO-2014065791-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-01 WO 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-20160338999-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PEPD 1912/4885IMPDH2 1225/4885PTPN1 1524/4885
US-20150252028-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PEPD 1912/4885IMPDH2 1225/4885PTPN1 1524/4885

“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.