SCHEMBL461603

SCHEMBL461603

COC(=O)C(OC(C)(C)C)c1c(C)nc2c(-c3cccc(Cl)c3)cnn2c1-c1ccc2c(c1)CCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
GPR119 Q8TDV5 1/20 0.35
CYP3A4 P08684 1/20 0.35
P2RX3 P56373 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
HCRTR1 O43613 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
FABP4 P15090 3/20 0.33
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
FLT3 P36888 1/20 0.33
FABP3 P05413 2/20 0.33
HPGD P15428 1/20 0.33
PSIP1 O75475 1/20 0.33

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
SCHEMBL470269 0.93 NR1I2 (0.46) NR1I2GPR119CYP3A4L3MBTL1ALDH1A1
SCHEMBL462760 0.92 NR1I2 (0.44) NR1I2CYP3A4LCKL3MBTL1ALDH1A1
SCHEMBL462755 0.85 NR1I2 (0.51) NR1I2CYP3A4L3MBTL1ALDH1A1MAPK1
SCHEMBL461512 0.83 NR1I2 (0.60) NR1I2GPR119CYP3A4LCKFYN
SCHEMBL460948 0.83 NR1I2 (0.40) NR1I2CYP3A4P2RX3NPC1RAB9A
SCHEMBL462362 0.81 GPR119 (0.43) GPR119CYP3A4LCKFYNL3MBTL1
SCHEMBL461632 0.80 DPP4 (0.43) NR1I2GPR119LCKFYNL3MBTL1
SCHEMBL12091336 0.80 NR1I2 (0.47) NR1I2GPR119LCKFYNL3MBTL1
SCHEMBL17039251 0.78 P2RX3 (0.36) NR1I2P2RX3FABP4FABP3
SCHEMBL17029066 0.78 P2RX3 (0.36) NR1I2P2RX3FABP4FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
US-8633200-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-21 US disclosed
EP-2614064-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
US-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY 2012-09-06 US disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033735-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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 (1 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-20120225888-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS NR1I2 3085/4885GPR119 2863/4885CYP3A4 1719/4885

“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.