SCHEMBL5459724

SCHEMBL5459724

CCN(C)S(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEP1B Q16820 1/20 0.44
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
AKR1B1 P15121 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
VCAM1 P19320 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
ABCC4 O15439 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TBXA2R P21731 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41

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
SCHEMBL5452529 0.85 LMNA (0.59) ALDH1A1HPGDHSD17B10CA2LMNA
SCHEMBL2514583 0.84 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10MEP1BCA2
SCHEMBL4175118 0.83 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10CA2PTGES
SCHEMBL5450808 0.83 ALDH1A1 (0.62) ALDH1A1HPGDAKR1B1LMNAHTT
SCHEMBL5466187 0.79 CA9 (0.67) CA2GAATAS2R14SMN1; SMN2
SCHEMBL11105700 0.78 HDAC3 (0.51) ALDH1A1HPGDHSD17B10AKR1B1PTGES
SCHEMBL5448485 0.77 TAS2R14 (0.61) ALDH1A1LMNAKMT2ATAS2R14
SCHEMBL165384 0.77 PSIP1 (0.57) ALDH1A1HPGDHSD17B10MEP1BCA2
SCHEMBL5191089 0.76 CCR5 (0.59) ALDH1A1HSD17B10VCAM1LMNAHTT
SCHEMBL13434084 0.74 MAPT (0.57) ALDH1A1HSD17B10VCAM1LMNAHTT

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 4 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
CN-1608061-A Therapeutic isoquinoline compounds ASTRAZENECA AB (SE) 2005-04-20 CN 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 816/4885HPGD 918/4885HSD17B10 1008/4885

“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.