SCHEMBL505485

SCHEMBL505485

CC(C)(C)[Si](C)(C)OCc1ccc(-c2c(F)c(F)c(C(=O)O)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
DHODH Q02127 5/20 0.35
ANO1 Q5XXA6 2/20 0.34
USP14 P54578 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX5AP P20292 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 1/20 0.32
PREP P48147 1/20 0.32
NR4A2 P43354 1/20 0.32

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
SCHEMBL505474 0.88 TACR1 (0.38) TACR1LMNAHTTPOLBMAPT
SCHEMBL3722014 0.76 RXRA (0.51) POLBNR4A2
SCHEMBL5029906 0.73 CA2 (0.48) LMNAHTTPOLB
SCHEMBL22227467 0.73 BRS3 (0.49)
SCHEMBL1121430 0.72 IDO1 (0.50) LMNAHTTPOLBMAPTL3MBTL1
SCHEMBL6303196 0.71 SMN1; SMN2 (0.54) MAPTNR4A2
SCHEMBL906834 0.70 IDO1 (0.48) LMNABACE1
SCHEMBL14648434 0.70 KMT2A (0.48) LMNAHTTMAPTL3MBTL1
SCHEMBL2853361 0.70 ALDH1A1 (0.38) TACR1LMNAUSP14POLBTDP1
SCHEMBL992588 0.70 MLYCD (0.43)

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 8 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
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US 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
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 TACR1 3015/4885LMNA 4317/4885HTT 759/4885

“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.