SCHEMBL462755

SCHEMBL462755

Cc1nc2c(-c3ccccc3)cnn2c(-c2ccc3c(c2)CCCO3)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.51
CYP3A4 P08684 1/20 0.47
PSIP1 O75475 1/20 0.42
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL462760 0.93 NR1I2 (0.44) NR1I2CYP3A4PSIP1KDM4EL3MBTL1
SCHEMBL470269 0.93 NR1I2 (0.46) NR1I2CYP3A4PSIP1L3MBTL1NPC1
SCHEMBL461603 0.85 NR1I2 (0.39) NR1I2CYP3A4PSIP1KDM4EL3MBTL1
SCHEMBL12091046 0.84 NR1I2 (0.68) NR1I2CYP3A4PSIP1KDM4EPDE4A
SCHEMBL462405 0.83 NR1I2 (0.47) NR1I2CYP3A4PSIP1PDE4APDE4B
SCHEMBL458872 0.82 NR1I2 (0.75) NR1I2CYP3A4PSIP1KDM4EL3MBTL1
SCHEMBL470438 0.81 NR1I2 (0.63) NR1I2CYP3A4PSIP1KDM4ENPC1
SCHEMBL13193612 0.80 NR1I2 (0.46) NR1I2CYP3A4PSIP1NPC1RAB9A
SCHEMBL12992669 0.80 CYP3A4 (0.63) NR1I2CYP3A4PSIP1
SCHEMBL18347848 0.80 CYP3A4 (0.63) NR1I2CYP3A4PSIP1

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 3085/4885CYP3A4 1719/4885PSIP1 1676/4885

“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.