SCHEMBL458452

SCHEMBL458452

Cc1nc2cc(-c3ccccc3)nn2c(C)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.58
MAPT P10636 9/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
THRB P10828 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL461551 0.90 NR1I2 (0.49) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL12091025 0.90 NR1I2 (0.66) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL15227172 0.89 NR1I2 (0.56) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL10174452 0.86 NR1I2 (0.62) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL12090969 0.86 NR1I2 (0.62) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL15479182 0.86 NR1I2 (0.62) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL470254 0.86 NR1I2 (0.62) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL470401 0.86 NR1I2 (0.62) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL12090963 0.86 NR1I2 (0.66) NR1I2MAPTNPC1RAB9AHPGD
SCHEMBL15228062 0.85 NR1I2 (0.55) NR1I2MAPTNPC1RAB9AHPGD

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 3085/4885MAPT 2620/4885NPC1 434/4885

“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.