Sugi Predict

Sugi Predict / Compounds / SCHEMBL888872

SCHEMBL888872

SCHEMBL888872

CC(C)C(=O)C(c1cccs1)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.49
▸ CES2 O00748 2/20 0.41
▸ CES1 P23141 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ OPRM1 P35372 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 2/20 0.36

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
SCHEMBL755753 0.82 ALOX5 (0.47) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL890162 0.82 ALOX5 (0.47) ALOX5CES2CES1KEAP1TSHR
SCHEMBL19578288 0.82 ALOX5 (0.42) ALOX5CES2CES1KEAP1TSHR
Hydrochloric Acid SCHEMBL3892301 0.81 ALOX5 (0.46) ALOX5CES2CES1KEAP1TSHR
SCHEMBL13748245 0.81 ALOX5 (0.54) ALOX5CES2CES1KEAP1OPRM1
SCHEMBL22361412 0.78 ALOX5 (0.44) ALOX5CES2CES1KEAP1TSHR
SCHEMBL10140642 0.78 ALOX5 (0.44) ALOX5CES2CES1KEAP1TSHR
SCHEMBL27514420 0.74 ALOX5 (0.53) ALOX5CES2CES1KEAP1TSHR
SCHEMBL19334012 0.73 ALOX5 (0.40) ALOX5CES2CES1KEAP1TSHR
SCHEMBL2376431 0.71 ALOX5 (0.55) ALOX5CES2CES1KEAP1OPRM1

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 103 patents — showing the first 20. 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-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-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — 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-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — 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
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 — — WO disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 — — WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 — — WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — 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 (9 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALOX5 1857/4885CES2 79/4885CES1 70/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALOX5 1857/4885CES2 79/4885CES1 70/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALOX5 2556/4885CES2 380/4885CES1 161/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALOX5 2012/4885CES2 417/4885CES1 79/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALOX5 2556/4885CES2 380/4885CES1 161/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALOX5 1857/4885CES2 79/4885CES1 70/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALOX5 1909/4885CES2 192/4885CES1 21/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALOX5 1857/4885CES2 79/4885CES1 70/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALOX5 2012/4885CES2 417/4885CES1 79/4885

“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.