Sugi Predict

Sugi Predict / Compounds / SCHEMBL461512

SCHEMBL461512

SCHEMBL461512

COC(=O)C(OC(C)(C)C)c1c(C)nc2c(-c3cccc(Cl)c3)cnn2c1-c1cc(F)c2c(c1C)CCCO2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.60
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PIM1 P11309 2/20 0.31
▸ PIM2 Q9P1W9 2/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL470266 0.94 NR1I2 (0.68) NR1I2GPR119ALDH1A1MAPK1L3MBTL1
SCHEMBL459952 0.93 NR1I2 (0.68) NR1I2ALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL462892 0.91 NR1I2 (0.59) NR1I2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL12091336 0.91 NR1I2 (0.47) NR1I2GPR119ALDH1A1MAPK1L3MBTL1
SCHEMBL470447 0.87 NR1I2 (0.63) NR1I2CYP3A4
SCHEMBL12079856 0.87 NR1I2 (0.63) NR1I2CYP3A4
SCHEMBL458872 0.87 NR1I2 (0.75) NR1I2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL461221 0.87 NR1I2 (0.78) NR1I2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL461701 0.87 NR1I2 (0.78) NR1I2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL461222 0.87 NR1I2 (0.78) NR1I2ALDH1A1MAPK1NPC1RAB9A

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 2863/4885ALDH1A1 3327/4885

“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.