SCHEMBL17560732

SCHEMBL17560732

CC(C)C[C@H](NP(=O)(Cl)Oc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.49
LAP3 P28838 1/20 0.49
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
GRN P28799 3/20 0.42
SORT1 Q99523 3/20 0.42
MME P08473 2/20 0.42
BCL2L1 Q07817 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL27041056 1.00 ANPEP (0.49) ANPEPLAP3MMP1MMP3GRN
SCHEMBL12621365 0.89 ANPEP (0.47) ANPEPLAP3MMP1MMP3
SCHEMBL31435784 0.87 BTN3A1 (0.45) ANPEPLAP3MMP1MMP3ALDH1A1
SCHEMBL30751467 0.87 BTN3A1 (0.45) ANPEPLAP3MMP1MMP3BCL2L1
SCHEMBL12621368 0.85 ELANE (0.50)
SCHEMBL12654939 0.83 ANPEP (0.41) ANPEPLAP3MMP1MMP3ALDH1A1
SCHEMBL20819161 0.83 GGH (0.40) ANPEPLAP3MME
SCHEMBL20819159 0.83 GGH (0.40) ANPEPLAP3MME
SCHEMBL23859849 0.82 ANPEP (0.48) ANPEPLAP3MME
SCHEMBL19206430 0.82 ANPEP (0.48) ANPEPLAP3MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 US disclosed
WO-2016035006-A1 NOVEL NUCLEOTIDE ANALOGS, PROCESS FOR THE PREPARATION OF SOFOSBUVIR AND ITS ANALOGS, NOVEL FORMS OF SOFOSBUVIR AND SOLID DISPERSION OF SOFOSBUVIR DR. REDDY’S LABORATORIES LIMITED (IN) 2016-03-10 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 (1 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-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION SLC28A2, SLC28A1, SLC29A2 ANPEP 517/4885LAP3 1312/4885MMP1 3695/4885

“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.