Sugi Predict

Sugi Predict / Compounds / SCHEMBL825038

SCHEMBL825038

SCHEMBL825038

COC(=O)N[C@H](C(=O)C(C)C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.50
▸ CYP2D6 P10635 5/20 0.50
▸ CYP2C19 P33261 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ OPRK1 P41145 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CTSS P25774 2/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL3265959 1.00 CYP2C9 (0.50) CYP2C9CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL825076 1.00 CYP2C9 (0.50) CYP2C9CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL19578197 0.87 CYP2D6 (0.48) CYP2C9CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL8918662 0.84 CYP2D6 (0.49) CYP2C9CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL13778634 0.84 CTSK (0.61) ATMCTSSCTSKMAPTCTSL
SCHEMBL12566968 0.84 CTSK (0.61) ATMCTSSCTSKMAPTCTSL
SCHEMBL18931319 0.84 CYP2D6 (0.49) CYP2C9CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL8658251 0.84 ATM (0.48) KMT2AATMCTSSCTSKMAPT
SCHEMBL11928731 0.84 CYP2D6 (0.49) CYP2C9CYP2D6CYP2C19CYP3A4ALDH1A1
SCHEMBL13049150 0.84 HSD17B10 (0.43) ALDH1A1KMT2AMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 — — 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-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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 — — EP disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 — — EP disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 — — 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 (10 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 CYP2C9 324/4885CYP2D6 497/4885CYP2C19 180/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP2C9 3780/4885CYP2D6 3539/4885CYP2C19 4120/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885CYP2D6 1861/4885CYP2C19 3369/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CYP2C9 2585/4885CYP2D6 1861/4885CYP2C19 3369/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP2C9 412/4885CYP2D6 478/4885CYP2C19 392/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CYP2C9 177/4885CYP2D6 365/4885CYP2C19 105/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP2C9 412/4885CYP2D6 478/4885CYP2C19 392/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP2C9 350/4885CYP2D6 594/4885CYP2C19 418/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP2C9 3780/4885CYP2D6 3539/4885CYP2C19 4120/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885CYP2D6 1861/4885CYP2C19 3369/4885

“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.