SCHEMBL2779977

SCHEMBL2779977

CC(C)C(=O)NC(CO)CCCCN

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
GSR P00390 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
RNPEP Q9H4A4 1/20 0.36
FOLH1 Q04609 1/20 0.36
CPB2 Q96IY4 5/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
TLR2 O60603 1/20 0.33
MMP2 P08253 1/20 0.33
DPP4 P27487 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
SCHEMBL12156779 0.81 DPP7 (0.41) DPP8DPP9DPP7DPP4
SCHEMBL25099321 0.80 DPP7 (0.40) DPP8DPP9DPP7GNAI3GNAO1
SCHEMBL7990837 0.78 CYP3A4 (0.43) CYP3A4MAPK1
SCHEMBL14268998 0.77 TAS1R3 (0.40) CYP3A4MAPK1
SCHEMBL9716630 0.75 FOLH1 (0.58) NMT2NMT1GSRSIRT6SIRT1
SCHEMBL14961163 0.75 SIRT6 (0.43) NMT2NMT1DPP8DPP9DPP7
SCHEMBL9716627 0.75 FOLH1 (0.58) NMT2NMT1GSRSIRT6SIRT1
SCHEMBL14961162 0.75 SIRT6 (0.43) NMT2NMT1DPP8DPP9DPP7
SCHEMBL26842419 0.74 NMT1 (0.42) NMT2NMT1GSRRNPEPFOLH1
SCHEMBL3126966 0.73 ITGB3 (0.41)

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-8742158-B2 Protease inhibitors TaiMed Biologies, Inc. (TW) 2014-06-03 US disclosed
US-20130158261-A1 PROTEASE INHIBITORS TAIMED BIOLOGICS, INC. (TW) 2013-06-20 US disclosed
US-8410300-B2 Protease inhibitors TAIMED BIOLOGICS, INC. (TW) 2013-04-02 US disclosed
EP-2258680-B1 Aromatic derivatives as HIV aspartyl protease inhibitors TAIMED BIOLOG INC (TW) 2012-09-19 EP disclosed
EP-2258680-A2 Aromatic derivatives as HIV aspartyl protease inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
EP-2258681-A2 Aromatic Derivatives as HIV Aspartyl Protease Inhibitors Ambrilia Biopharma Inc. (CA) 2010-12-08 EP disclosed
US-20100184974-A1 Protease Inhibitors AMBRILIA BIOPHARMA INC. (CA) 2010-07-22 US disclosed
EP-2064177-A2 PROTEASE INHIBITORS Ambrilia Biopharma Inc. (CA) 2009-06-03 EP disclosed
WO-2008078200-A2 PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC. (CA) 2008-07-03 WO disclosed
EP-1575914-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2005-09-21 EP disclosed
WO-2004056764-A1 AROMATIC DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2004-07-08 WO disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 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-20100184974-A1 Protease Inhibitors PREP, CTRL, CTRB1 NMT2 2702/4885NMT1 2612/4885DPP8 48/4885
US-20130158261-A1 PROTEASE INHIBITORS PREP, CTRL, CTRB1 NMT2 2702/4885NMT1 2612/4885DPP8 48/4885

“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.