Sugi Predict

Sugi Predict / Compounds / SCHEMBL888745

SCHEMBL888745

SCHEMBL888745

CC(C)C(=O)[C@@H](NC(=O)OC1CCOCC1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.35
▸ CTSL P07711 3/20 0.35
▸ CTSS P25774 3/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ KAT2B Q92831 1/20 0.35
▸ BAZ2B Q9UIF8 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ EPHX1 P07099 2/20 0.33
▸ ACACB O00763 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ MLNR O43193 1/20 0.30
▸ ABCB11 O95342 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CTSD P07339 1/20 0.30
▸ CYP3A5 P20815 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
SCHEMBL888757 1.00 MAPK1 (0.35) MAPK1CTSLCTSSCTSKPTGER1
SCHEMBL888675 0.91 CTSL (0.37) MAPK1CTSLCTSSPTGER1TSHR
SCHEMBL18117337 0.91 CTSL (0.37) MAPK1CTSLCTSSPTGER1TSHR
SCHEMBL13122196 0.91 CTSL (0.37) MAPK1CTSLCTSSPTGER1TSHR
SCHEMBL8922057 0.89 KAT2B (0.35) MAPK1CTSLCTSSCTSKPTGER1
SCHEMBL8919103 0.89 KAT2B (0.35) MAPK1CTSLCTSSCTSKPTGER1
SCHEMBL12557808 0.89 EPHX1 (0.37) CTSSCTSKTSHRCYP3A4CYP2C19
SCHEMBL2595916 0.88 SMN1; SMN2 (0.43) MAPK1CTSLCTSSCTSKKAT2B
SCHEMBL2595920 0.88 SMN1; SMN2 (0.43) MAPK1CTSLCTSSCTSKKAT2B
SCHEMBL11928910 0.87 EPHX1 (0.35) MAPK1CTSLCTSSCTSKPTGER1

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 82 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-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 — — 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-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-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
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (8 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 MAPK1 3342/4885CTSL 666/4885CTSS 708/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS MAPK1 3273/4885CTSL 1661/4885CTSS 2285/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 MAPK1 3342/4885CTSL 666/4885CTSS 708/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 MAPK1 3988/4885CTSL 1911/4885CTSS 2638/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L MAPK1 3747/4885CTSL 739/4885CTSS 853/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 MAPK1 3739/4885CTSL 1871/4885CTSS 2582/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 MAPK1 3988/4885CTSL 1911/4885CTSS 2638/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MAPK1 2698/4885CTSL 312/4885CTSS 571/4885

“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.