SCHEMBL875307

SCHEMBL875307

CC(C)(C)OC(=O)N1CC(=O)C(C)(C)[C@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
BUB1 O43683 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H2 P55055 4/20 0.33
HSD11B1 P28845 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 2/20 0.33
NR1H3 Q13133 2/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL875308 1.00 HSD17B10 (0.37) HSD17B10MEN1KMT2AESR1BUB1
SCHEMBL877125 0.88 MAPK1 (0.40) HSD17B10MEN1KMT2ABUB1DDB1
SCHEMBL877124 0.88 MAPK1 (0.40) HSD17B10MEN1KMT2ABUB1DDB1
SCHEMBL876133 0.85 PTPN1 (0.39) MEN1KMT2ABUB1DDB1CRBN
SCHEMBL8288614 0.85 PTPN1 (0.39) MEN1KMT2ABUB1DDB1CRBN
SCHEMBL6244524 0.85 HSD17B10 (0.37) HSD17B10MEN1KMT2ABUB1NR1H2
SCHEMBL21367151 0.80 MEN1 (0.33) HSD17B10MEN1KMT2AESR1BUB1
SCHEMBL28397904 0.78 ELANE (0.44)
SCHEMBL5201612 0.77 MEN1 (0.33) HSD17B10MEN1KMT2ABUB1DDB1
SCHEMBL5201608 0.77 MEN1 (0.33) HSD17B10MEN1KMT2ABUB1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179918-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2007-01-25 US disclosed
EP-1737818-A2 METHODS FOR THE PREPARATION OF STEREOISOMERICALLY ENRICHED AMINES Pfizer, Inc. (US) 2007-01-03 EP disclosed
US-20050192441-A1 by enzymatically hydrolyzing one stereoisomer; biocatalyst; alkaline protease, an esterase, a lipase, or a hydrolase; useful in the preparation of protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-09-01 US disclosed
WO-2005054186-A2 METHODS FOR THE PREPARATION OF STEREOISOMERICALLY ENRICHED AMINES PFIZER INC. (US) 2005-06-16 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 (3 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP HSD17B10 2966/4885MEN1 4795/4885KMT2A 1733/4885
US-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP HSD17B10 962/4885MEN1 3114/4885KMT2A 3333/4885
US-20050192441-A1 by enzymatically hydrolyzing one stereoisomer; biocatalyst; alkaline protease, an esterase, a lipase, or a hydrolase; useful in the preparation of protease inhibitors CTRL, CTRC, LIPA HSD17B10 145/4885MEN1 2678/4885KMT2A 2846/4885

“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.