SCHEMBL5459200

SCHEMBL5459200

COc1ccccc1NS(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
POLB P06746 1/20 0.64
PTGDR2 Q9Y5Y4 2/20 0.64
HTT P42858 1/20 0.63
LIMK2 P53671 1/20 0.63
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
NAMPT P43490 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL8716698 0.85 POLB (0.65) ALDH1A1KDM4EPOLBHTTLIMK2
SCHEMBL8752511 0.83 POLB (0.63) ALDH1A1POLBHTTLIMK2MEN1
SCHEMBL3380247 0.83 POLB (0.68) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL8711266 0.82 POLB (0.78) ALDH1A1POLBHTTLIMK2MEN1
SCHEMBL6607377 0.80 GAA (0.62) ALDH1A1KDM4EPOLBHTTMEN1
SCHEMBL13816414 0.79 PTGDR2 (1.00) ALDH1A1KDM4EPTGDR2HTTMEN1
SCHEMBL7571620 0.79 POLB (0.68) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL789616 0.79 KEAP1 (0.72) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL7572319 0.79 POLB (0.68) ALDH1A1POLBHTTMEN1KMT2A
SCHEMBL5458136 0.78 POLB (1.00) ALDH1A1KDM4EPOLBHTTLIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010526-A1 Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2007-01-11 US disclosed
EP-1451172-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS AstraZeneca AB (SE) 2004-09-01 EP disclosed
WO-2003037887-A1 THERAPEUTIC ISOQUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-08 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-20070010526-A1 Therapeutic isoquinoline compounds HTR1B, HTR1D, HTR1A ALDH1A1 816/4885KDM4E 1824/4885POLB 2352/4885

“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.