SCHEMBL5459206

SCHEMBL5459206

CON(c1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.46
ALOX5 P09917 1/20 0.46
FABP4 P15090 1/20 0.45
ALDH1A1 P00352 2/20 0.45
AKR1B1 P15121 1/20 0.44
KEAP1 Q14145 2/20 0.44
TSHR P16473 2/20 0.44
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL6607386 0.79 TAS2R14 (0.50) PTGESALOX5AKR1B1TAS2R14TAS2R8
SCHEMBL6792747 0.79 PKM (0.58) ALDH1A1LMNAHTTMMP2MMP8
SCHEMBL2514583 0.75 ALDH1A1 (0.54) PTGESALOX5ALDH1A1AKR1B1TSHR
SCHEMBL2797281 0.75 ALDH1A1 (0.49) ALDH1A1TSHRLMNAHTTESR1
SCHEMBL11405331 0.74 ALDH1A1 (0.51) ALDH1A1TSHRLMNAESR1MAPK1
SCHEMBL5450808 0.74 ALDH1A1 (0.62) ALDH1A1AKR1B1LMNAHTTKDM4E
SCHEMBL1279080 0.73 TAS2R14 (0.77) PTGESTAS2R14TAS2R8CXCR3
SCHEMBL7158812 0.72 ALDH1A1 (0.55) ALDH1A1LMNAGAAKDM4EESR1
SCHEMBL5452529 0.72 LMNA (0.59) ALDH1A1LMNAHTTTAS2R14
SCHEMBL7264825 0.72 TSHR (0.41) ALDH1A1KEAP1TSHRMMP2MMP14

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 PTGES 1818/4885ALOX5 1978/4885FABP4 2229/4885

“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.