SCHEMBL16681968

SCHEMBL16681968

CN(C(=O)OC(C)(C)C)c1ccc(OCC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXRA P19793 3/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
MLYCD O95822 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL13187239 0.84 BRD4 (0.45) PAX8POLBKMT2AMEN1ALDH1A1
SCHEMBL25960279 0.82 PAX8 (0.44) PAX8POLBSMN1; SMN2RXRANR1H2
SCHEMBL11750518 0.81 SMN1; SMN2 (0.41) POLBSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8018111 0.81 PAX8 (0.55) PAX8SMN1; SMN2RXRANR1H2NR1H3
SCHEMBL7341507 0.80 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1RAB9AMAPT
SCHEMBL25960280 0.80 PAX8 (0.43) PAX8POLBSMN1; SMN2RXRANR1H2
SCHEMBL16681965 0.80 GPR119 (0.46) PAX8POLBSMN1; SMN2RXRANR1H2
SCHEMBL16682152 0.79 PAX8 (0.42) PAX8POLBSMN1; SMN2RXRANR1H2
SCHEMBL3365028 0.78 L3MBTL1 (0.43) PAX8POLBSMN1; SMN2RXRANR1H2
SCHEMBL3367105 0.77 GAA (0.44) PAX8TSHR

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-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 US disclosed
WO-2015061518-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-30 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 (2 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G PAX8 4747/4885POLB 15/4885SMN1; SMN2 2838/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E PAX8 4788/4885POLB 14/4885SMN1; SMN2 2877/4885

“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.