SCHEMBL505474

SCHEMBL505474

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.38
GCGR P47871 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.33
AR P10275 1/20 0.33
BRS3 P32247 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HTT P42858 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
SCHEMBL505485 0.88 TACR1 (0.39) TACR1LMNAPOLBBACE1MAPT
SCHEMBL505290 0.79 HTT (0.36) TACR1RAB9ANPC1MAPK1ALDH1A1
SCHEMBL1313112 0.77 LOXL2 (0.51) LMNARAB9ANPC1TSHRMAPK1
SCHEMBL505633 0.77 TSHR (0.46) GCGRLMNARAB9ANPC1TSHR
SCHEMBL505259 0.76 DHODH (0.58)
SCHEMBL28835940 0.74 SLC6A2 (0.47) GCGRLMNARAB9ANPC1TSHR
SCHEMBL25332785 0.74 SLC6A3 (0.50) GCGRLMNARAB9ANPC1TSHR
SCHEMBL9435638 0.72 CYP4F2 (0.50) LMNARAB9ANPC1ALDH1A1KMT2A
SCHEMBL20742521 0.71 XDH (0.42) LMNAKDM5AKDM5B
SCHEMBL29936878 0.71 ALDH1A1 (0.50) LMNARAB9ANPC1CA1CA2

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 3015/4885GCGR 3806/4885LMNA 4317/4885

“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.