Sugi Predict

Sugi Predict / Compounds / SCHEMBL1865655

SCHEMBL1865655

SCHEMBL1865655

O=C(O)N[C@H](CNCC(F)(F)F)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.40
▸ CTSK P43235 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CPB2 Q96IY4 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ BCHE P06276 3/20 0.32
▸ EPHX1 P07099 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
SCHEMBL12632016 0.82 CTSK (0.49) RENCTSKCTSSKMT2AEPHX1
SCHEMBL3585265 0.78 CYP2D6 (0.36) LTA4HGRNSORT1CYP2D6CPB2
SCHEMBL1864182 0.77 MEN1 (0.48) RENCTSKLTA4HKMT2AMEN1
SCHEMBL1867340 0.77 CPB2 (0.49) CTSKCTSSMMP1MMP2MMP3
SCHEMBL5517908 0.76 CYP2D6 (0.35) CTSKLTA4HCTSSMMP1MMP2
SCHEMBL1860869 0.75 MEN1 (0.46) RENLTA4HKMT2AMEN1
SCHEMBL1860873 0.75 MEN1 (0.46) RENLTA4HKMT2AMEN1
SCHEMBL3599965 0.75 CYP2D6 (0.40) CTSKLTA4HCTSSGRNSORT1
SCHEMBL5850026 0.75 CYP2D6 (0.40) CTSKLTA4HCTSSGRNSORT1
SCHEMBL3599961 0.75 CYP2D6 (0.40) CTSKLTA4HCTSSGRNSORT1

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
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 — — EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE REN 298/4885CTSK 31/4885LTA4H 1140/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE REN 298/4885CTSK 31/4885LTA4H 1140/4885

“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.