SCHEMBL8013071

SCHEMBL8013071

CC(C)C(=O)[C@@H](N)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.49
EPHX1 P07099 1/20 0.45
DPP7 Q9UHL4 7/20 0.44
KCNH2 Q12809 1/20 0.42
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.41
FAP Q12884 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL18401046 0.98 DPP4 (0.46) DPP4EPHX1DPP7KCNH2DPP8
SCHEMBL20877709 0.98 DPP4 (0.46) DPP4EPHX1DPP7KCNH2DPP8
SCHEMBL22968844 0.98 DPP4 (0.46) DPP4EPHX1DPP7KCNH2DPP8
SCHEMBL12937984 0.89 ALOX5 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL14886200 0.89 ALOX5 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL10140621 0.89 ALOX5 (0.40) DPP4DPP7DPP8DPP9
SCHEMBL24063542 0.80 DPP4 (0.44) DPP4EPHX1DPP7KCNH2DPP8
SCHEMBL8021388 0.80 EPHX1 (0.41) EPHX1CA12CA1CA2MMP2
SCHEMBL9251508 0.80 EPHX1 (0.41) EPHX1CA12CA1CA2MMP2
SCHEMBL8003564 0.80 EPHX1 (0.41) EPHX1CA12CA1CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339581-A1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
WO-2009094443-A1 DIFLUORINATED TRIPEPTIDES AS HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009094438-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-07-30 WO disclosed
WO-2009076166-A2 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009076173-A2 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009073780-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
WO-2007143694-A2 MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-13 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-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS DPP4 12/4885EPHX1 410/4885DPP7 108/4885
US-20200339581-A1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS TLR7, TLR1, TLR9 DPP4 2500/4885EPHX1 4165/4885DPP7 893/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS DPP4 12/4885EPHX1 410/4885DPP7 108/4885

“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.