SCHEMBL10077236

SCHEMBL10077236

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
ACSS2 Q9NR19 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 2/20 0.36
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL22796814 0.85 CES2 (0.42) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL1822203 0.84 KCNN4 (0.49) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL8906107 0.82 KCNN4 (0.43) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL12841736 0.82 KCNN4 (0.46) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL8915396 0.79 KCNN4 (0.41) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL888782 0.79 KCNN4 (0.41) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL31612947 0.79 NPSR1 (0.44) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL19578179 0.79 KCNN4 (0.41) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL19578315 0.79 KCNN4 (0.41) KCNN4PDK1PDK2PDK3PDK4
SCHEMBL18117413 0.78 KCNN4 (0.47) KCNN4PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
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
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US 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 (16 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNN4 4631/4885PDK1 642/4885PDK2 984/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS KCNN4 4457/4885PDK1 1181/4885PDK2 1232/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNN4 4880/4885PDK1 1514/4885PDK2 2564/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNN4 4832/4885PDK1 1716/4885PDK2 2746/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 KCNN4 4631/4885PDK1 642/4885PDK2 984/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNN4 4880/4885PDK1 1514/4885PDK2 2564/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KCNN4 4880/4885PDK1 1514/4885PDK2 2564/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 KCNN4 4776/4885PDK1 923/4885PDK2 1527/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KCNN4 4536/4885PDK1 680/4885PDK2 975/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNN4 4832/4885PDK1 1716/4885PDK2 2746/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 KCNN4 4716/4885PDK1 1069/4885PDK2 1675/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS KCNN4 4880/4885PDK1 1514/4885PDK2 2564/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KCNN4 4832/4885PDK1 1716/4885PDK2 2746/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNN4 4880/4885PDK1 1514/4885PDK2 2564/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNN4 4880/4885PDK1 1514/4885PDK2 2564/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L KCNN4 4536/4885PDK1 680/4885PDK2 975/4885

“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.