SCHEMBL4885252

SCHEMBL4885252

O=C(O)c1ccc(-c2noc3cc(OS(=O)(=O)C(F)(F)F)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
HSD11B1 P28845 1/20 0.41
MAP2K4 P45985 4/20 0.40
MAPK1 P28482 3/20 0.40
MAPK6 Q16659 3/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
MAPKAPK3 Q16644 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
IP6K1 Q92551 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
SCHEMBL14020910 0.87 ADORA2A (0.41) ESR1ESR2HSD11B1NPC1RAB9A
SCHEMBL4886163 0.86 ESR1 (0.42) ESR1ESR2HSD11B1RAB9A
SCHEMBL1675397 0.82 RXRA (0.49) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL1675485 0.75 BCL2L1 (0.54) ESR1ESR2MAP2K4MAPK1MAPK6
SCHEMBL17307561 0.75 HSD11B1 (0.44) HSD11B1ALDH1A1
SCHEMBL1675464 0.75 ESR1 (0.51) ESR1ESR2MAP2K4PPARANPC1
SCHEMBL840762 0.73 KMT2A (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL1675455 0.73 MEN1 (0.50) ESR1ESR2MAP2K4MAPK1MAPK6
SCHEMBL4883852 0.72 RXRA (0.49) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL1675418 0.71 AURKA (0.48) ESR1ESR2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. (US) 2008-10-30 US 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-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, NSUN2, RNMT ESR1 3536/4885ESR2 3420/4885HSD11B1 3218/4885

“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.