SCHEMBL17029006

SCHEMBL17029006

COC(=O)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1-c1cc(F)c2c(c1C)CCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 1/20 0.34
AVPR1B P47901 3/20 0.33
ALDH1A3 P47895 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G2A P14555 1/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.32
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL20033899 0.93 NR1I2 (0.40) NR1I2L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL17029005 0.92 NR1I2 (0.42) NR1I2AVPR1BNPC1ALDH1A1RAB9A
SCHEMBL20344833 0.92 NR1I2 (0.41) NR1I2AVPR1BALDH1A3CNR2PDE4B
SCHEMBL17029033 0.88 NR1I2 (0.39) NR1I2AVPR1BL3MBTL1NPC1ALDH1A1
SCHEMBL17029021 0.84 NR1I2 (0.45) NR1I2AVPR1BPDCD1CD274
SCHEMBL17039259 0.84 NR1I2 (0.39) NR1I2AVPR1BL3MBTL1ALDH1A1LMNA
SCHEMBL20344789 0.84 NR1I2 (0.37) NR1I2AVPR1BALDH1A1LMNAKDM4E
SCHEMBL20344788 0.83 NR1I2 (0.42) NR1I2AVPR1BL3MBTL1NPC1ALDH1A1
SCHEMBL17039244 0.83 NR1I2 (0.42) NR1I2AVPR1BL3MBTL1NPC1ALDH1A1
SCHEMBL17029032 0.83 NR1I2 (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed
US-9938271-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-10 US disclosed
US-9938271-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-10 US disclosed
US-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US disclosed
US-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US disclosed
EP-3107913-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-28 EP disclosed
WO-2015126765-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126765-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 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-20170008887-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS NR1I2 3085/4885SLC6A3 3898/4885SLC6A2 3767/4885

“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.