SCHEMBL14487641

SCHEMBL14487641

O=C(O)Cn1cc(C(F)(F)F)nc1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 6/20 0.40
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PRKCB P05771 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
RPS6KA1 Q15418 1/20 0.36
GCK P35557 2/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL14555675 0.94 EPHX2 (0.38) KHKPOLBGAAPRKCBRPS6KB1
SCHEMBL15708454 0.84 POLB (0.38) KHKPOLBGAAPRKCBRPS6KB1
SCHEMBL14487422 0.82 HDAC6 (0.37) KHKGAAPRKCBRPS6KB1AKT1
SCHEMBL23501995 0.81 RPS6KB1 (0.39) KHKGAAPRKCBRPS6KB1AKT1
SCHEMBL14555677 0.78 L3MBTL1 (0.37) KHKPOLBGAAPRKCBRPS6KB1
SCHEMBL15724299 0.78 ALDH1A1 (0.39) USP2POLBPTGDR2EPHX2ALDH1A1
SCHEMBL15484840 0.73 KDM4E (0.44) POLBPTGDR2ALDH1A1
SCHEMBL15708453 0.73 TLR8 (0.35) KHKUSP2POLBGAAPTGDR2
SCHEMBL15724293 0.72 EPHX2 (0.41) USP2POLBPTGDR2EPHX2ALDH1A1
SCHEMBL15730371 0.71 TLR8 (0.39) KHKPRKCBRPS6KB1AKT1RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KHK 1890/4885USP2 4800/4885POLB 1747/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN KHK 1890/4885USP2 4800/4885POLB 1747/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KHK 1890/4885USP2 4800/4885POLB 1747/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KHK 1890/4885USP2 4800/4885POLB 1747/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KHK 1890/4885USP2 4800/4885POLB 1747/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KHK 1890/4885USP2 4800/4885POLB 1747/4885

“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.