SCHEMBL16682152

SCHEMBL16682152

C=CCOc1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RXRA P19793 2/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL25960279 0.81 PAX8 (0.44) PAX8RAB9AMAPTNPC1POLB
SCHEMBL11968762 0.81 PAX8 (0.45) PAX8SMN1; SMN2RXRANR1H2NR1H3
SCHEMBL8968222 0.81 SMN1; SMN2 (0.60) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL16670325 0.81 MAPT (0.46) ADRB2ADRB1ADRB3RAB9AMAPT
SCHEMBL3365475 0.80 LSS (0.57) MEN1KMT2ALSS
SCHEMBL8018111 0.80 PAX8 (0.55) PAX8RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3365192 0.80 LSS (0.59) MEN1KMT2ALSS
SCHEMBL3364560 0.80 LSS (0.59) MEN1KMT2ALSS
SCHEMBL11968704 0.79 PAX8 (0.63) PAX8MAPTSMN1; SMN2GAA
SCHEMBL16681968 0.79 PAX8 (0.43) PAX8RAB9AMAPTPOLBSMN1; SMN2

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 4747/4885ADRB2 4662/4885ADRB1 4117/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E PAX8 4788/4885ADRB2 4597/4885ADRB1 3967/4885

“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.