SCHEMBL14864784

SCHEMBL14864784

COC(=O)N[C@H](C)[C@H](C)OC

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL12075678 1.00 SMN1; SMN2 (0.32) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL8760648 1.00 SMN1; SMN2 (0.32) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL12295329 1.00 SMN1; SMN2 (0.32) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL12436798 1.00 SMN1; SMN2 (0.32) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL21426201 0.81 CA1 (0.49) CA12CA1CA2
SCHEMBL8755734 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL8141423 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL10125333 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL25118258 0.77 SMN1; SMN2 (0.33) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL18117388 0.76 SMN1; SMN2 (0.30) SMN1; SMN2

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-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 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-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 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 (4 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885CA12 4584/4885CA1 4824/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885CA12 4584/4885CA1 4824/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 SMN1; SMN2 3504/4885CA12 3784/4885CA1 4604/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885CA12 4584/4885CA1 4824/4885

“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.