SCHEMBL8915396

SCHEMBL8915396

CCC(=O)[C@@](C)(O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.41
RIPK1 Q13546 2/20 0.40
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ESR2 Q92731 1/20 0.36
DRD2 P14416 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL19578315 1.00 KCNN4 (0.41) KCNN4RIPK1PDK1PDK2PDK3
SCHEMBL10140623 0.84 KCNN4 (0.42) KCNN4RIPK1PDK1PDK2PDK3
SCHEMBL10077236 0.79 KCNN4 (0.44) KCNN4RIPK1PDK1PDK2PDK3
SCHEMBL1822203 0.79 KCNN4 (0.49) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL31355016 0.78 PIN1 (0.47) KCNN4NPSR1CYP2C19TSHR
SCHEMBL8906107 0.78 KCNN4 (0.43) KCNN4RIPK1PDK1PDK2PDK3
SCHEMBL12175054 0.77 CYP2C19 (0.38) KCNN4RIPK1PDK1PDK2PDK3
SCHEMBL8920357 0.77 CYP2C19 (0.38) KCNN4RIPK1PDK1PDK2PDK3
SCHEMBL19578179 0.75 KCNN4 (0.41) KCNN4RIPK1PDK1PDK2PDK3
SCHEMBL888782 0.75 KCNN4 (0.41) KCNN4RIPK1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US 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 (4 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNN4 4832/4885RIPK1 3705/4885PDK1 1716/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNN4 4832/4885RIPK1 3705/4885PDK1 1716/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNN4 4652/4885RIPK1 2552/4885PDK1 957/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KCNN4 4776/4885RIPK1 3538/4885PDK1 923/4885

“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.