SCHEMBL18364987

SCHEMBL18364987

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1-c1ccc2c(c1)CCCO2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FABP4 P15090 6/20 0.34
FABP3 P05413 2/20 0.34
NR1I2 O75469 1/20 0.33
P2RX3 P56373 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KCNH2 Q12809 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP11B2 P19099 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
SCHEMBL20344844 1.00 CLK1 (0.35) CLK1NPC1RAB9AFABP4FABP3
SCHEMBL17029066 0.94 P2RX3 (0.36) FABP4FABP3NR1I2P2RX3
SCHEMBL17029065 0.94 P2RX3 (0.36) FABP4FABP3NR1I2P2RX3
SCHEMBL17039251 0.94 P2RX3 (0.36) FABP4FABP3NR1I2P2RX3
SCHEMBL17029018 0.92 NR1I2 (0.40) FABP4FABP3NR1I2
SCHEMBL18364988 0.83 NR1I2 (0.36) FABP4FABP3NR1I2P2RX3
SCHEMBL20344817 0.83 NR1I2 (0.36) FABP4FABP3NR1I2P2RX3
SCHEMBL17039255 0.83 CLK1 (0.40) CLK1NPC1RAB9AFABP4FABP3
SCHEMBL18364984 0.83 NR1I2 (0.39) FABP4FABP3NR1I2
SCHEMBL17039253 0.83 NR1I2 (0.39) FABP4FABP3NR1I2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CLK1 2640/4885NPC1 434/4885RAB9A 1173/4885

“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.