Sugi Predict

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SCHEMBL888694

SCHEMBL888694

COC(=O)N[C@@H](Cc1cccnc1)C(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ TBXAS1 P24557 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CTSK P43235 1/20 0.43
▸ FDPS P14324 1/20 0.43
▸ GPR132 Q9UNW8 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL10122806 1.00 ACACB (0.48) ACACBALDH1A1NLRP3TBXAS1HTT
SCHEMBL19364733 0.89 ALDH1A1 (0.47) ACACBALDH1A1NLRP3TBXAS1HTT
SCHEMBL14864793 0.86 NLRP3 (0.48) ACACBALDH1A1NLRP3TBXAS1HTT
SCHEMBL29166064 0.86 NLRP3 (0.59) ACACBALDH1A1NLRP3FDPSGPR132
SCHEMBL753981 0.86 GPR132 (0.56) ACACBNLRP3TBXAS1GPR132CYP3A4
SCHEMBL10140580 0.86 TBXAS1 (0.49) ALDH1A1NLRP3TBXAS1FDPSGPR132
SCHEMBL14949075 0.83 TBXAS1 (0.51) ALDH1A1TBXAS1HTTFDPSMMP9
SCHEMBL888743 0.83 ACACB (0.46) ACACBALDH1A1CTSKGPR132MMP9
SCHEMBL10122809 0.83 ACACB (0.46) ACACBALDH1A1CTSKGPR132MMP9
SCHEMBL888697 0.83 ALDH1A1 (0.56) ALDH1A1CTSKPOLBALOX15

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 — — US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 — — US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 — — US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 — — US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 — — US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221215-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 (12 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 ACACB 265/4885ALDH1A1 201/4885NLRP3 3035/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS ACACB 667/4885ALDH1A1 241/4885NLRP3 2004/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ACACB 206/4885ALDH1A1 365/4885NLRP3 3861/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 265/4885ALDH1A1 201/4885NLRP3 3035/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ACACB 206/4885ALDH1A1 365/4885NLRP3 3861/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ACACB 345/4885ALDH1A1 287/4885NLRP3 3037/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ACACB 213/4885ALDH1A1 132/4885NLRP3 3106/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ACACB 472/4885ALDH1A1 229/4885NLRP3 1674/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ACACB 206/4885ALDH1A1 365/4885NLRP3 3861/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ACACB 345/4885ALDH1A1 287/4885NLRP3 3037/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 ACACB 426/4885ALDH1A1 250/4885NLRP3 3556/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ACACB 206/4885ALDH1A1 365/4885NLRP3 3861/4885

“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.