SCHEMBL8917994

SCHEMBL8917994

CCC(=O)C[C@@H](CCc1ccccc1)NC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSG P08311 3/20 0.54
CTRB1 P17538 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
PRSS1 P07477 2/20 0.43
CMA1 P23946 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
MMP12 P39900 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL755367 0.87 CTSG (0.55) CTSGCTRB1SMN1; SMN2KMT2AMEN1
SCHEMBL18526778 0.87 CTSG (0.55) CTSGCTRB1SMN1; SMN2KMT2AMEN1
SCHEMBL890119 0.86 CTSG (0.53) CTSGCTRB1SMN1; SMN2KMT2AMEN1
SCHEMBL13255630 0.86 CTRB1 (0.49) CTRB1NPC1RAB9A
SCHEMBL14886206 0.86 CTSG (0.53) CTSGCTRB1SMN1; SMN2KMT2AMEN1
SCHEMBL12980506 0.86 CTRB1 (0.49) CTRB1NPC1RAB9A
SCHEMBL10140545 0.86 CTRB1 (0.49) CTRB1NPC1RAB9A
SCHEMBL22361440 0.83 CTSG (0.51) CTSGCTRB1SMN1; SMN2KMT2AMEN1
SCHEMBL888749 0.83 CTSG (0.51) CTSGCTRB1SMN1; SMN2KMT2AMEN1
SCHEMBL8908134 0.82 CTSG (0.50) CTSGCTRB1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 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
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

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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CTSG 456/4885CTRB1 466/4885SMN1; SMN2 4162/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTSG 2178/4885CTRB1 1330/4885SMN1; SMN2 3298/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CTSG 2306/4885CTRB1 1326/4885SMN1; SMN2 3515/4885

“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.