SCHEMBL5404302

SCHEMBL5404302

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RORC P51449 7/20 0.32
USP2 O75604 1/20 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
SCHEMBL8288621 1.00 HSD17B10 (0.37) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL8285616 0.88 HSD17B10 (0.37) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL5495474 0.85 PTPN1 (0.34) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL5379806 0.85 PTPN1 (0.34) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL883020 0.83 HSD17B10 (0.38) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL8290352 0.83
SCHEMBL22320894 0.83 HSD17B10 (0.40) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL8288622 0.81 SPHK1 (0.35) SMN1; SMN2
SCHEMBL27207278 0.81 HSD17B10 (0.40) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL27203890 0.81 HSD17B10 (0.40) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
EP-1713470-A1 THERAPEUTIC COMBINATIONS Pfizer, Inc. (US) 2006-10-25 EP disclosed
EP-1713478-A1 COMPOSITIONS COMPRISING HIV PROTEASE INHIBITOR AND CYTOCHROME P450 ENZYME ACTIVITY INHIBITOR PFIZER INC. (US) 2006-10-25 EP disclosed
EP-1692104-A1 METHODS OF PREPARING COMPOUNDS USEFUL AS PROTEASE INHIBITORS PFIZER INC. (US) 2006-08-23 EP disclosed
US-20050153903-A1 Methods of preparing compounds useful as protease inhibitors AGOURON PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2005054186-A2 METHODS FOR THE PREPARATION OF STEREOISOMERICALLY ENRICHED AMINES PFIZER INC. (US) 2005-06-16 WO disclosed
WO-2005054187-A1 METHODS OF PREPARING COMPOUNDS USEFUL AS PROTEASE INHIBITORS PFIZER INC. (US) 2005-06-16 WO disclosed
WO-2005054187-A1 METHODS OF PREPARING COMPOUNDS USEFUL AS PROTEASE INHIBITORS PFIZER INC. (US) 2005-06-16 WO disclosed
US-20050124683-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2005026114-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME AND THEIR PHARMACEUTICAL USES PFIZER INC. (US) 2005-03-24 WO disclosed
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2004-10-14 US disclosed
EP-1409466-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PFIZER INC. 2003-12-04 US disclosed
WO-2002100844-A2 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 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 (5 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-20070021354-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP HSD17B10 962/4885SMN1; SMN2 3932/4885CHRM2 4867/4885
US-20050153903-A1 Methods of preparing compounds useful as protease inhibitors PREP, FURIN, SERPINB1 HSD17B10 711/4885SMN1; SMN2 3397/4885CHRM2 4795/4885
US-20030225071-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, FURIN, PEPD HSD17B10 1113/4885SMN1; SMN2 3798/4885CHRM2 4853/4885
US-20050124683-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis PEPD, SERPINB1, ACE HSD17B10 2330/4885SMN1; SMN2 4320/4885CHRM2 4869/4885
US-20040204591-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis FURIN, PREP, PRSS1 HSD17B10 439/4885SMN1; SMN2 3614/4885CHRM2 4849/4885

“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.