SCHEMBL15724293

SCHEMBL15724293

Cc1cn(CC(=O)O)c(C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.37
CYP19A1 P11511 1/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.34
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 2/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL15724299 0.94 ALDH1A1 (0.39) EPHX2ALDH1A1KDM4EPOLBMAPT
SCHEMBL15724295 0.83 KDM4E (0.37) ALDH1A1KDM4EPOLBLMNAHSD17B10
SCHEMBL14555675 0.77 EPHX2 (0.38) EPHX2KDM4EPOLBPTGDR2
SCHEMBL4453709 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL15724297 0.75 KDM4E (0.33) ALDH1A1KDM4EPOLBHSD17B10HPGD
SCHEMBL14487641 0.72 KHK (0.40) EPHX2ALDH1A1POLBPTGDR2USP2
SCHEMBL13031308 0.71 CYP19A1 (0.58) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL28711155 0.69 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL18704177 0.68 ADORA2B (0.35) EPHX2ALDH1A1KDM4EPOLBMAPT
SCHEMBL15007324 0.68 GRM5 (0.64)

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-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-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-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (3 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN EPHX2 1935/4885ALDH1A1 649/4885KDM4E 1590/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN EPHX2 1935/4885ALDH1A1 649/4885KDM4E 1590/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN EPHX2 1935/4885ALDH1A1 649/4885KDM4E 1590/4885

“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.