SCHEMBL17029033

SCHEMBL17029033

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
XPO1 O14980 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
KCNH2 Q12809 1/20 0.32
AVPR1B P47901 3/20 0.31
ALDH1A1 P00352 2/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
TP53 P04637 1/20 0.31

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) NR1I2KDM4EALDH1A1DGAT1SOAT1
SCHEMBL20344833 0.89 NR1I2 (0.41) NR1I2PDCD1CD274AVPR1BKMT2A
SCHEMBL17029005 0.89 NR1I2 (0.42) NR1I2KDM4ESMN1; SMN2PDCD1CD274
SCHEMBL17029006 0.88 NR1I2 (0.41) NR1I2KDM4ESMN1; SMN2PDCD1CD274
SCHEMBL17039259 0.87 NR1I2 (0.39) NR1I2KDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL17039244 0.87 NR1I2 (0.42) NR1I2KDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL20344788 0.87 NR1I2 (0.42) NR1I2KDM4ETSHRMAPK1SMN1; SMN2
SCHEMBL20344789 0.84 NR1I2 (0.37) NR1I2KDM4ETSHRHSD17B10PDCD1
SCHEMBL17039260 0.84 NR1I2 (0.50) NR1I2KCNH2AVPR1B
SCHEMBL17029021 0.82 NR1I2 (0.45) NR1I2PDCD1CD274AVPR1B

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
EP-3107913-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2018-07-04 EP disclosed
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 3085/4885XPO1 1034/4885KDM4E 2143/4885

“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.