SCHEMBL8909419

SCHEMBL8909419

COC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PPARG P37231 5/20 0.56
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
ITGB3 P05106 3/20 0.54
ITGA2B P08514 3/20 0.54
BCL2 P10415 1/20 0.53
LTA4H P09960 1/20 0.53
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
GPR34 Q9UPC5 3/20 0.52
PTPN1 P18031 1/20 0.52
HDAC8 Q9BY41 2/20 0.50

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
SCHEMBL8906760 0.89 CTSS (0.52) ACE
SCHEMBL8906641 0.89 CTSS (0.52) ACE
SCHEMBL753187 0.88 PPARG (0.70) NPC1RAB9ASMN1; SMN2PPARGMMP9
SCHEMBL16541078 0.88 PPARG (0.70) NPC1RAB9ASMN1; SMN2PPARGMMP9
SCHEMBL16552342 0.86 PPARG (0.69) NPC1RAB9ASMN1; SMN2PPARGMMP9
SCHEMBL1704841 0.86 MMP9 (0.58) NPC1RAB9ASMN1; SMN2PPARGMMP9
SCHEMBL19364838 0.86 PPARG (0.62) NPC1RAB9ASMN1; SMN2PPARGMMP9
SCHEMBL26897332 0.85 LTA4H (0.55) NPC1RAB9ASMN1; SMN2PPARGMMP9
SCHEMBL888747 0.84 NPC1 (0.59) NPC1RAB9ASMN1; SMN2PPARGMMP9
SCHEMBL10122834 0.84 NPC1 (0.59) NPC1RAB9ASMN1; SMN2PPARGMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (7 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NPC1 36/4885RAB9A 3036/4885SMN1; SMN2 4162/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NPC1 36/4885RAB9A 3036/4885SMN1; SMN2 4162/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 NPC1 36/4885RAB9A 3036/4885SMN1; SMN2 4162/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 NPC1 106/4885RAB9A 3384/4885SMN1; SMN2 3298/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 NPC1 273/4885RAB9A 3788/4885SMN1; SMN2 3515/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 NPC1 448/4885RAB9A 3937/4885SMN1; SMN2 3504/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L NPC1 162/4885RAB9A 3990/4885SMN1; SMN2 3511/4885

“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.