SCHEMBL18180331

SCHEMBL18180331

COc1ccc(N(C)C(=O)[C@@H](N)Cc2ccccc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
MAOB P27338 1/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
PYGL P06737 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.40
ACACB O00763 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL18179898 0.83 SLC7A5 (0.42) PPARGPPARAALPIPKMPTGS1
SCHEMBL16669867 0.81 CIT (0.52) PPARGPPARAALPIPKMPTGS1
SCHEMBL30659096 0.81 CIT (0.52) PPARGPPARAALPIPKMPTGS1
SCHEMBL18180135 0.81 CIT (0.52) PPARGPPARAALPIPKMPTGS1
SCHEMBL16669866 0.81 CIT (0.52) PPARGPPARAALPIPKMPTGS1
SCHEMBL8021845 0.76 KMT2A (0.48) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL18179929 0.76 L3MBTL1 (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14925281 0.74 KMT2A (0.46) MTNR1AMTNR1BMEN1KMT2ATSHR
SCHEMBL16669849 0.73 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL16669850 0.73 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E PPARG 4702/4885PPARA 4827/4885MAOB 1707/4885

“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.