Sugi Predict

Sugi Predict / Compounds / SCHEMBL1861306

SCHEMBL1861306

SCHEMBL1861306

CCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.69
▸ CTSS P25774 4/20 0.69
▸ CHRNB2 P17787 6/20 0.54
▸ CHRNB4 P30926 6/20 0.54
▸ CHRNA3 P32297 6/20 0.54
▸ CHRNA4 P43681 6/20 0.54
▸ GRIN1 Q05586 3/20 0.54
▸ GRIN2A Q12879 3/20 0.54
▸ GRM1 Q13255 3/20 0.54
▸ BCHE P06276 2/20 0.53
▸ CAPN1 P07384 1/20 0.51
▸ REN P00797 1/20 0.48
▸ METAP2 P50579 1/20 0.48
▸ AAK1 Q2M2I8 1/20 0.48
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ NMT2 O60551 1/20 0.45
▸ NMT1 P30419 1/20 0.45

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
SCHEMBL1861303 1.00 CTSK (0.69) CTSKCTSSCHRNB2CHRNB4CHRNA3
SCHEMBL3615325 0.88 CTSS (0.76) CTSKCTSSCHRNB2CHRNB4CHRNA3
SCHEMBL3615254 0.88 CTSS (0.76) CTSKCTSSCHRNB2CHRNB4CHRNA3
SCHEMBL28982692 0.83 CTSS (0.72) CTSKCTSSRENAAK1HDAC4
SCHEMBL30172531 0.83 CTSS (0.76) CTSKCTSSRENAAK1HDAC4
SCHEMBL28982690 0.83 CTSS (0.72) CTSKCTSSRENAAK1HDAC4
SCHEMBL1449014 0.83 CTSS (0.65) CTSKCTSSBCHECAPN1REN
SCHEMBL1864993 0.82 CHRNB2 (0.61) CTSKCTSSCHRNB2CHRNB4CHRNA3
SCHEMBL12632018 0.82 CTSS (0.71) CTSKCTSSCAPN1RENAAK1
SCHEMBL27709443 0.82 CTSS (0.71) CTSKCTSSCAPN1RENAAK1

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-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
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-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-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
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US 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 CTSK 31/4885CTSS 138/4885CHRNB2 4383/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE CTSK 31/4885CTSS 138/4885CHRNB2 4383/4885

“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.