Sugi Predict

Sugi Predict / Compounds / SCHEMBL8919611

SCHEMBL8919611

SCHEMBL8919611

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31

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
SCHEMBL13747377 1.00 FDPS (0.36) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL890150 0.87 FDPS (0.38) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL4936639 0.80 HTR2A (0.39) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL172217 0.80 HTR2A (0.39) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL755800 0.80 HTR2A (0.39) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL13309265 0.78 FDPS (0.34) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL14237857 0.78 FDPS (0.34) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL21566478 0.78 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL888885 0.78 FDPS (0.34) FDPSPGRADRA2AADRA2BHTR2A
SCHEMBL8916934 0.78 FDPS (0.34) FDPSPGRADRA2AADRA2BHTR2A

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 63 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-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-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
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — 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-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
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO 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
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — 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 (11 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 FDPS 868/4885PGR 2122/4885ADRA2A 4222/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS FDPS 260/4885PGR 2414/4885ADRA2A 4614/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885PGR 2200/4885ADRA2A 4127/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885PGR 2200/4885ADRA2A 4127/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS FDPS 546/4885PGR 2200/4885ADRA2A 4127/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 FDPS 409/4885PGR 2641/4885ADRA2A 4552/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L FDPS 718/4885PGR 1906/4885ADRA2A 4102/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 FDPS 409/4885PGR 2641/4885ADRA2A 4552/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS FDPS 546/4885PGR 2200/4885ADRA2A 4127/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885PGR 2200/4885ADRA2A 4127/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS FDPS 546/4885PGR 2200/4885ADRA2A 4127/4885

“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.