SCHEMBL505473

SCHEMBL505473

COC(=O)c1c(F)c(F)c(-c2ccc(C(O[SiH](C)C)C(C)(C)C)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BDKRB1 P46663 2/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DHODH Q02127 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TP53 P04637 2/20 0.31
MDM2 Q00987 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL5973107 0.77 CA1 (0.44) ALDH1A1KMT2ATSHRMAPTMEN1
SCHEMBL505258 0.76 DHODH (0.55) DHODH
SCHEMBL28835940 0.74 SLC6A2 (0.47) GCGRALDH1A1KMT2APOLBTSHR
SCHEMBL25332785 0.74 SLC6A3 (0.50) GCGRALDH1A1KMT2APOLBTSHR
SCHEMBL8199069 0.72 KDM4E (0.34) KMT2AMAPTRECQLMEN1
SCHEMBL29936878 0.71 ALDH1A1 (0.50) ALDH1A1KMT2APOLBLMNASMN1; SMN2
SCHEMBL6472722 0.71 KDM4E (0.40) ALDH1A1KMT2AMAPK1LMNASMN1; SMN2
SCHEMBL505248 0.71 LMNA (0.57) ALDH1A1KMT2ATSHRMAPK1LMNA
SCHEMBL29936641 0.71 EPHX2 (0.45) ALDH1A1KMT2APOLBTSHRMAPK1
SCHEMBL6671659 0.70 NR1H4 (0.42) ALDH1A1KMT2ATSHRMAPK1SMN1; 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
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
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 GCGR 3806/4885ALDH1A1 95/4885KMT2A 836/4885

“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.