SCHEMBL2706375

SCHEMBL2706375

CC(C)c1ccc2c(c1)C(F)(F)c1cc(C(C)C)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.53
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
RNASEH1 O60930 1/20 0.34
TYR P14679 3/20 0.33
KIF11 P52732 1/20 0.32
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL10118787 0.92 PDK2 (0.47) PDK2LMNAHPGDGFERHSD17B10
SCHEMBL18463033 0.91 PDK2 (0.46) PDK2LMNAHPGDGFERHSD17B10
SCHEMBL2756746 0.91 PDK2 (0.46) PDK2LMNAHPGDGFERHSD17B10
SCHEMBL14982868 0.86 PDK2 (0.47) PDK2LMNAHPGDGFERHSD17B10
SCHEMBL29323805 0.85 PDK2 (0.42) PDK2LMNAPTGS1
SCHEMBL10141890 0.82 LMNA (0.46) PDK2LMNAHPGDGFERHSD17B10
SCHEMBL12388705 0.82 PDK2 (0.43) PDK2LMNAALDH1A1NPC1RAB9A
SCHEMBL15042898 0.80 PDK2 (0.41) PDK2LMNAHPGDGFERHSD17B10
SCHEMBL15042862 0.80 PDK2 (0.38) PDK2LMNAHPGDGFERHSD17B10
SCHEMBL2705595 0.76 PDK2 (0.44) PDK2LMNAHPGDGFERHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDK2 2856/4885LMNA 1353/4885HPGD 3745/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDK2 2856/4885LMNA 1353/4885HPGD 3745/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDK2 2856/4885LMNA 1353/4885HPGD 3745/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDK2 2856/4885LMNA 1353/4885HPGD 3745/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDK2 2856/4885LMNA 1353/4885HPGD 3745/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDK2 2856/4885LMNA 1353/4885HPGD 3745/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PDK2 2856/4885LMNA 1353/4885HPGD 3745/4885

“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.