SCHEMBL2808309

SCHEMBL2808309

O=C(NC1(C(=O)O)CCOC1)c1cnc2[nH]cnc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
F2 P00734 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HPGDS O60760 1/20 0.31
GPR132 Q9UNW8 1/20 0.31
CXCR2 P25025 1/20 0.30

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
SCHEMBL198147 1.00 CYP4F2 (0.38) CYP4F2CYP4A11F2POLBHTT
SCHEMBL198340 0.87 GPR132 (0.36) CYP4F2CYP4A11HTTTDP1HDAC6
SCHEMBL198148 0.81 CYP4F2 (0.32) CYP4F2CYP4A11F2POLBHTT
SCHEMBL2808491 0.77 VNN1 (0.39) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL2808488 0.77 VNN1 (0.39) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL2808923 0.75 CYP4F2 (0.40) CYP4F2CYP4A11GPR132
SCHEMBL2808925 0.75 CYP4F2 (0.40) CYP4F2CYP4A11GPR132
SCHEMBL2812645 0.75 HDAC3 (0.41) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL184726 0.75 HDAC3 (0.41) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL185854 0.75 KDM4E (0.45) CYP4F2CYP4A11GPR132CXCR2

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CYP4F2 874/4885CYP4A11 223/4885F2 677/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CYP4F2 874/4885CYP4A11 223/4885F2 677/4885

“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.