SCHEMBL5578429

SCHEMBL5578429

CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Oc3ccccc3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.35
PTPN1 P18031 2/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR1 P21554 1/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8084973 0.85 EPHX2 (0.35) PTGS1PTGS2
SCHEMBL4259456 0.82 BRD4 (0.47) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL9475113 0.81 ESPL1 (0.37) LMNAALDH1A1SMN1; SMN2
SCHEMBL4260102 0.81 ATM (0.45) LMNASMN1; SMN2
SCHEMBL8085319 0.79 PPIB (0.44) MAOBALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8084219 0.78 KDM4E (0.36) MAOBALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL8084230 0.77 HRH4 (0.30)
SCHEMBL8085076 0.77 NPSR1 (0.34) MAOBKDM4EMEN1MAPTKMT2A
SCHEMBL8077246 0.77 HSD11B1 (0.34) MAOBALDH1A1KDM4EMAPT
SCHEMBL9796819 0.77 HRH4 (0.34) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2009-01-08 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-20070026059-A1 Ligands for orphan nuclear hormone receptor steroidogenic factor-1 (SF-1) VAN ANDEL RESEARCH INSTITUTE 2007-02-01 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 US disclosed
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels DARA BIOSCIENCES, INC. 2007-02-01 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 (2 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-20090012067-A1 Modulation of Hypothalamic Atp-Sensitive Potassium Channels PYGB, PC, KCNN3 CNR2 1705/4885PTPN1 4455/4885LMNA 2299/4885
US-20070026079-A1 Intranasal administration of modulators of hypothalamic ATP-sensitive potassium channels PC, LIPE, ATP5ME CNR2 2148/4885PTPN1 4113/4885LMNA 2005/4885

“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.