Sugi Predict

Sugi Predict / Compounds / SCHEMBL890095

SCHEMBL890095

SCHEMBL890095

CCCN(CC)[C@@H](C)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.40
▸ PGR P06401 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TSHR P16473 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ BCHE P06276 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KCNE1 P15382 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ ACHE P22303 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
SCHEMBL890098 1.00 FDPS (0.40) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL10140934 0.91 FDPS (0.43) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL13338011 0.91 FDPS (0.43) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL10141693 0.91 FDPS (0.43) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL10147890 0.87 CA1 (0.39) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL890220 0.85 PGR (0.47) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL8919464 0.85 PGR (0.47) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL8221317 0.85 PGR (0.47) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL890202 0.83 FDPS (0.38) FDPSCA12CA2CA9CA1
SCHEMBL890186 0.83 FDPS (0.38) FDPSCA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 — — US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 — — US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-8178531-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2012-05-15 — — US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
US-20110218175-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-09-08 — — US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 — — US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 — — US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 — — US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 — — 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS 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 (13 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 FDPS 331/4885PGR 1798/4885ADRA2A 4147/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 FDPS 331/4885PGR 1798/4885ADRA2A 4147/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 FDPS 331/4885PGR 1798/4885ADRA2A 4147/4885
US-20110218175-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS FDPS 402/4885PGR 2541/4885ADRA2A 3504/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 FDPS 533/4885PGR 2327/4885ADRA2A 3290/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 FDPS 327/4885PGR 2223/4885ADRA2A 4516/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 FDPS 331/4885PGR 1798/4885ADRA2A 4147/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 FDPS 409/4885PGR 2641/4885ADRA2A 4552/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 FDPS 331/4885PGR 1798/4885ADRA2A 4147/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FDPS 240/4885PGR 2083/4885ADRA2A 4166/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FDPS 240/4885PGR 2083/4885ADRA2A 4166/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 FDPS 567/4885PGR 2416/4885ADRA2A 3249/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 FDPS 240/4885PGR 2083/4885ADRA2A 4166/4885

“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.