SCHEMBL10267753

SCHEMBL10267753

COC(=O)Cc1c(F)c(F)c(-c2ccc(CO)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
GCGR P47871 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HSP90AB1 P08238 1/20 0.36
HDAC2 Q92769 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL10269013 0.83 KDM4E (0.41) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL10267427 0.81 ALDH1A1 (0.41) CYP4F2CYP4A11GAAL3MBTL1ALDH1A1
SCHEMBL505633 0.79 TSHR (0.46) CYP4F2CYP4A11GAAALDH1A1GCGR
SCHEMBL112297 0.75 CYP4F2 (0.71) CYP4F2CYP4A11GAAL3MBTL1ALDH1A1
SCHEMBL5007047 0.75 MEN1 (0.44) CYP4F2CYP4A11GAAL3MBTL1ALDH1A1
SCHEMBL9127813 0.72 KMT2A (0.48) CYP4F2CYP4A11L3MBTL1ALDH1A1KMT2A
SCHEMBL17847702 0.69 KMT2A (0.58) CYP4F2CYP4A11GAAL3MBTL1ALDH1A1
SCHEMBL9265258 0.69 PTGS2 (0.51) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16519615 0.69 CYP4F2 (0.49) CYP4F2CYP4A11GAAL3MBTL1ALDH1A1
SCHEMBL5533783 0.69 HSP90AB1 (0.56) CYP4F2CYP4A11GAAL3MBTL1ALDH1A1

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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD CYP4F2 534/4885CYP4A11 1831/4885GAA 318/4885

“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.