SCHEMBL8907714

SCHEMBL8907714

COC(=O)N[C@@H](Cc1ccncc1)C(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.43
CYP17A1 P05093 1/20 0.41
USP30 Q70CQ3 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8906641 0.85 CTSS (0.52) ALDH1A1HSD17B10CTSSCTSKCTSL
SCHEMBL8906760 0.85 CTSS (0.52) ALDH1A1HSD17B10CTSSCTSKCTSL
SCHEMBL8908045 0.84 NLRP3 (0.48) ACACBUSP30ALDH1A1GAACTSL
SCHEMBL29166052 0.84 ITGA4 (0.51) ACACBALDH1A1GAAITGA4ITGB7
SCHEMBL754140 0.84 ITGA4 (0.51) ACACBALDH1A1GAAITGA4ITGB7
SCHEMBL30476824 0.84 ATM (0.50) ACACBALDH1A1GAAHSD17B10RAB9A
SCHEMBL14850462 0.84 ACACB (0.46) ACACBALDH1A1KDM4EGAAHPGD
SCHEMBL18117370 0.82 ACACB (0.45) ACACBALDH1A1KDM4EGAAHPGD
SCHEMBL13255750 0.81 ACACB (0.44) ACACBALDH1A1KDM4EGAAHPGD
SCHEMBL10122809 0.81 ACACB (0.46) ACACBALDH1A1HSD17B10CTSKMMP2

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 7 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-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-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 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 (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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 265/4885CYP17A1 1544/4885USP30 2272/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 472/4885CYP17A1 1038/4885USP30 2405/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ACACB 345/4885CYP17A1 1606/4885USP30 2457/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ACACB 213/4885CYP17A1 1339/4885USP30 2603/4885

“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.