SCHEMBL15033784

SCHEMBL15033784

COc1nc(NCc2ccc(C(C)(C)C)cc2)c(C)c(C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
EPHX2 P34913 3/20 0.43
NR1H4 Q96RI1 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
COPS5 Q92905 3/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL10230274 0.85 NR1H4 (0.46) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL15033676 0.81 ASPH (0.44) EPHX2NR1H4COPS5ASPHKDM8
SCHEMBL15033763 0.81 PDE10A (0.52) CA1CA2EPHX2NR1H4MEN1
SCHEMBL10231976 0.78 NR1H4 (0.46) CA1CA2EPHX2NR1H4RAB9A
SCHEMBL15119866 0.78 RXRA (0.48) RAB9AL3MBTL1COPS5
SCHEMBL14998844 0.75 CA1 (0.46) CA1CA2EPHX2NR1H4MEN1
SCHEMBL14325832 0.75 CCR2 (0.39) CA1CA2MEN1NPC1RAB9A
SCHEMBL12066151 0.74 CA1 (0.45) CA1CA2EPHX2NR1H4MEN1
SCHEMBL10231970 0.74 KMT2A (0.49) CA1CA2EPHX2NR1H4MEN1
SCHEMBL12065727 0.71 EPHX2 (0.46) CA1CA2EPHX2NR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721025-B1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 EP disclosed
US-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 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-20130150354-A1 NEW SELECTIVE CCR2 ANTAGONISTS CCR2, CCRL2, CXCR2 CA1 3975/4885CA2 823/4885EPHX2 585/4885

“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.