SCHEMBL5345853

SCHEMBL5345853

CCCS(=O)(=O)c1ccc(C(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CA2 P00918 4/20 0.43
RARB P10826 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
PTK2B Q14289 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CDC25B P30305 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL15573975 0.89 LMNA (0.49) EGLN1LMNARAB9AMAPK1HTT
SCHEMBL29499772 0.78 LMNA (0.51) EGLN1LMNARAB9AMAPK1HTT
SCHEMBL4597784 0.78 LMNA (0.51) EGLN1LMNARAB9AMAPK1HTT
SCHEMBL2777527 0.75 NEU3 (0.57) LMNARAB9AMAPK1HTTCA2
SCHEMBL29787231 0.75 NEU3 (0.57) LMNARAB9AMAPK1HTTCA2
SCHEMBL3160473 0.75 LMNA (0.47) LMNARAB9AMAPK1HTTCA2
SCHEMBL5345850 0.74 LMNA (0.47) EGLN1LMNARAB9AMAPK1HTT
SCHEMBL31401277 0.73 PTK2B (0.52) LMNARAB9AMAPK1HTTCA2
SCHEMBL1018690 0.73 CA12 (0.57) RAB9ACA2RARBSMN1; SMN2KMT2A
SCHEMBL21962266 0.72 PTK2B (0.48) LMNARAB9AMAPK1HTTSMN1; 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
US-7205307-B2 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. (US) 2007-04-17 US disclosed
EP-1483259-A4 PYRIMIDINES AS NOVEL OPENERS OF POTASSIUM ION CHANNELS ICAGEN INC (US) 2005-12-14 EP disclosed
EP-1483259-A1 PYRIMIDINES AS NOVEL OPENERS OF POTASSIUM ION CHANNELS Icagen, Inc. (US) 2004-12-08 EP disclosed
US-20030181465-A1 Pyrimidines as novel openers of potassium ion channels ICAGEN, INC. 2003-09-25 US disclosed
WO-2003068767-A1 PYRIMIDINES AS NOVEL OPENERS OF POTASSIUM ION CHANNELS ICAGEN, INC. (US) 2003-08-21 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-20030181465-A1 Pyrimidines as novel openers of potassium ion channels KCNJ1, KCNJ2, KCNJ11 EGLN1 4034/4885LMNA 3869/4885RAB9A 3925/4885

“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.