Sugi Predict

Sugi Predict / Compounds / SCHEMBL14844683

SCHEMBL14844683

SCHEMBL14844683

CC1CC(c2nc(-c3ccc(I)cc3)c[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ AURKA O14965 2/20 0.33
▸ PDPK1 O15530 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ GPR119 Q8TDV5 4/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ SETD7 Q8WTS6 1/20 0.32
▸ USP30 Q70CQ3 2/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ABHD6 Q9BV23 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ BCR P11274 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
SCHEMBL14844685 1.00 UCHL1 (0.34) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL14844703 1.00 UCHL1 (0.34) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL17973121 0.91 CYP1A2 (0.36) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL17973122 0.91 CYP1A2 (0.36) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL14914689 0.90 ABL1 (0.38) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL15773761 0.90 ABL1 (0.38) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL14915403 0.90 ABL1 (0.38) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL2449358 0.89 ABL1 (0.38) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL1293926 0.89 HTT (0.38) UCHL1HTTAURKAPDPK1AURKB
SCHEMBL1294043 0.89 HTT (0.38) UCHL1HTTAURKAPDPK1AURKB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407445-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-10 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2016-08-04 — — US disclosed
WO-2015017382-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2015-02-05 — — WO disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 — — US disclosed
WO-2013052369-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 — — 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 (3 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-10407445-B2 Hepatitis C virus inhibitors HAVCR2, SLC10A1, EIF2AK2 UCHL1 2835/4885HTT 4481/4885AURKA 3179/4885
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 UCHL1 2835/4885HTT 4481/4885AURKA 3179/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 UCHL1 2053/4885HTT 4659/4885AURKA 2191/4885

“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.