SCHEMBL16800201

SCHEMBL16800201

CCOC(=O)[C@@H]1CC2(CC2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.39
FKBP1A P62942 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
IMPDH2 P12268 3/20 0.32

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
SCHEMBL16800190 1.00 PEPD (0.39) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL16541366 1.00 PEPD (0.39) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL30753312 0.95 FKBP1A (0.38) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL29524116 0.95 FKBP1A (0.38) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL25333165 0.94 PEPD (0.38) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL24020778 0.94 FKBP1A (0.38) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL16555307 0.91 FKBP1A (0.34) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL16555309 0.91 FKBP1A (0.34) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL29780441 0.91 FKBP1A (0.36) PEPDFKBP1AMEN1KMT2AHDAC8
SCHEMBL22150847 0.90 NFKB1 (0.36) PEPDFKBP1AMEN1KMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718807-B2 Synthesis of antiviral compound GILEAD PHARMASSET LLC (US) 2017-08-01 US disclosed
US-9718807-B2 Synthesis of antiviral compound GILEAD PHARMASSET LLC (US) 2017-08-01 US disclosed
US-20160340345-A1 SYNTHESIS OF ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2016-11-24 US disclosed
US-20160340345-A1 SYNTHESIS OF ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2016-11-24 US disclosed
EP-2855454-B1 SYNTHESIS OF ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC (US) 2016-05-25 EP disclosed
US-20150232453-A1 SYNTHESIS OF ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2015-08-20 US disclosed
US-20150232453-A1 SYNTHESIS OF ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2015-08-20 US disclosed
US-9056860-B2 Synthesis of antiviral compound GILEAD PHARMASSET LLC (US) 2015-06-16 US disclosed
US-9056860-B2 Synthesis of antiviral compound GILEAD PHARMASSET LLC (US) 2015-06-16 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-20150232453-A1 SYNTHESIS OF ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 PEPD 1783/4885FKBP1A 2740/4885MEN1 3312/4885
US-20160340345-A1 SYNTHESIS OF ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 PEPD 1783/4885FKBP1A 2740/4885MEN1 3312/4885

“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.