SCHEMBL505633

SCHEMBL505633

COC(=O)c1c(F)c(F)c(-c2ccc(CO)cc2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
GCGR P47871 1/20 0.46
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
AR P10275 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
CYP4A11 Q02928 2/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL25332785 0.83 SLC6A3 (0.50) TSHRMAPK1GCGRKMT2AALDH1A1
SCHEMBL29936878 0.81 ALDH1A1 (0.50) KMT2AALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL505248 0.80 LMNA (0.57) TSHRMAPK1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10267753 0.79 CYP4F2 (0.44) GCGRKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL29936785 0.78 L3MBTL1 (0.49) TSHRMAPK1GCGRKMT2AALDH1A1
SCHEMBL28835940 0.78 SLC6A2 (0.47) TSHRMAPK1GCGRKMT2AALDH1A1
SCHEMBL505395 0.78 ALDH1A1 (0.53) TSHRMAPK1GCGRKMT2AALDH1A1
SCHEMBL29106646 0.78 LMNA (0.58) TSHRKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL505474 0.77 TACR1 (0.38) TSHRMAPK1GCGRKMT2AALDH1A1
SCHEMBL29936641 0.77 EPHX2 (0.45) TSHRMAPK1KMT2AALDH1A1POLB

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 9 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
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 TSHR 2913/4885MAPK1 3576/4885GCGR 3806/4885

“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.