SCHEMBL10175635

SCHEMBL10175635

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2c(C)c(-c3cccc(-c4cccc(F)c4)c3)nn2c1-c1cc(F)c2c(c1C)CCCO2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.61
BCHE P06276 1/20 0.32
CSNK1D P48730 1/20 0.31
DGAT1 O75907 1/20 0.30
SOAT1 P35610 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL470319 0.95 NR1I2 (0.63) NR1I2
SCHEMBL470512 0.94 NR1I2 (0.70) NR1I2
SCHEMBL12078912 0.94 NR1I2 (0.70) NR1I2
SCHEMBL10174696 0.93 NR1I2 (0.62) NR1I2ALDH1A1HPGDNPSR1HSD17B10
SCHEMBL470442 0.93 NR1I2 (0.69) NR1I2BCHEALDH1A1
SCHEMBL10174693 0.92 NR1I2 (0.61) NR1I2BCHEDGAT1SOAT1KCNH2
SCHEMBL10175496 0.90 NR1I2 (0.56) NR1I2
SCHEMBL456823 0.89 NR1I2 (0.72) NR1I2
SCHEMBL457829 0.89 NR1I2 (0.72) NR1I2
SCHEMBL470326 0.89 NR1I2 (0.56) NR1I2

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-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-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

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 3085/4885BCHE 1924/4885CSNK1D 1897/4885

“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.