SCHEMBL505248

SCHEMBL505248

COC(=O)c1c(F)c(F)c(-c2ccccc2)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 2/20 0.49
AR P10275 1/20 0.49
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
PRKCZ Q05513 1/20 0.46
PTGS1 P23219 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GABRA1 P14867 1/20 0.45

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
SCHEMBL29106646 0.97 LMNA (0.58) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL25332785 0.86 SLC6A3 (0.50) LMNAALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL29936878 0.83 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL11227892 0.81 LMNA (0.64) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL505395 0.80 ALDH1A1 (0.53) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL505633 0.80 TSHR (0.46) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL29936785 0.80 L3MBTL1 (0.49) LMNAALDH1A1SMN1; SMN2RAB9ATP53
SCHEMBL28835940 0.80 SLC6A2 (0.47) LMNAALDH1A1SMN1; SMN2RAB9AHTT
SCHEMBL29936641 0.79 EPHX2 (0.45) ALDH1A1SMN1; SMN2RAB9ATP53TSHR
SCHEMBL505147 0.79 DHODH (0.45) LMNATP53HTTMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010600-B Method for synthesizing polyfluoroaryl carboxylic acid compound based on aryl fluorocarbon bond carboxylation reaction 四川大学 2023-11-17 CN disclosed
CN-115010600-A Method for synthesizing polyfluoroaryl carboxylic acid compounds based on aryl fluorocarbon bond carboxylation reaction 四川大学 2022-09-06 CN disclosed
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 LMNA 4317/4885ALDH1A1 95/4885SMN1; SMN2 3315/4885

“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.