SCHEMBL8917692

SCHEMBL8917692

CCC(=O)[C@H](Cc1ccccc1)NC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
ACE P12821 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
ATM Q13315 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
CTSS P25774 3/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSK P43235 2/20 0.48
PTPRB P23467 1/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL8921709 1.00 POLB (0.51) POLBACEALDH1A1ALOX15ATM
SCHEMBL15355011 1.00 POLB (0.51) POLBACEALDH1A1ALOX15ATM
SCHEMBL12468262 0.88 CTSL (0.52) POLBACEALDH1A1ALOX15ATM
SCHEMBL13998432 0.87 CTSL (0.64) ALDH1A1ALOX15CTSSCTSLCTSB
SCHEMBL7499927 0.86 CTSG (0.59) POLBACEALDH1A1ALOX15ATM
SCHEMBL4976559 0.86 CTSG (0.59) POLBACEALDH1A1ALOX15ATM
SCHEMBL7486728 0.86 CTSG (0.59) POLBACEALDH1A1ALOX15ATM
SCHEMBL2603668 0.85 ACE (0.70) ACEATMCTSSCTSLCTSB
SCHEMBL205548 0.85 MME (0.59) ACEALDH1A1ATMGAA
SCHEMBL627437 0.85 MME (0.59) ACEALDH1A1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013052362-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-11 WO disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 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
WO-2010148006-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-12-23 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 POLB 538/4885ACE 650/4885ALDH1A1 229/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 POLB 397/4885ACE 1195/4885ALDH1A1 287/4885

“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.