Sugi Predict

Sugi Predict / Compounds / SCHEMBL8917113

SCHEMBL8917113

SCHEMBL8917113

CCC(=O)[C@@H](C)N(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ FDPS P14324 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ FFAR3 O14843 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10140644 1.00 PGR (0.45) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10150910 1.00 PGR (0.45) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8916492 0.86 FDPS (0.39) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL172237 0.81 HTR2A (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL304130 0.81 HTR2A (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10207211 0.81 HTR2A (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL12175190 0.80 FDPS (0.41) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL12175168 0.80 FDPS (0.41) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL4356665 0.79 HTR2A (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL12301657 0.77 KCNH2 (0.31) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 — — EP disclosed
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO disclosed
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 — — WO disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 — — US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 — — US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 — — US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 — — US disclosed
WO-2011031904-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-03-17 — — WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 — — WO 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
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 (7 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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 PGR 2122/4885ADRA2A 4222/4885ADRA2B 3523/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PGR 2200/4885ADRA2A 4127/4885ADRA2B 3726/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS PGR 2200/4885ADRA2A 4127/4885ADRA2B 3726/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 PGR 1798/4885ADRA2A 4147/4885ADRA2B 3763/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 PGR 2641/4885ADRA2A 4552/4885ADRA2B 4041/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PGR 2200/4885ADRA2A 4127/4885ADRA2B 3726/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PGR 2200/4885ADRA2A 4127/4885ADRA2B 3726/4885

“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.