SCHEMBL5452529

SCHEMBL5452529

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
HTT P42858 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 3/20 0.52
TAS2R14 Q9NYV8 2/20 0.51
HPGD P15428 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
SLC22A8 Q8TCC7 1/20 0.49
ABCC2 Q92887 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
UGT1A7 Q9HAW7 1/20 0.49
SLC22A11 Q9NSA0 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5448485 0.88 TAS2R14 (0.61) LMNAALDH1A1TAS2R14MEN1KMT2A
SCHEMBL5466187 0.87 CA9 (0.67) SMN1; SMN2RAB9ATAS2R14CA12CA2
SCHEMBL5459724 0.85 ALDH1A1 (0.46) LMNAHTTSMN1; SMN2ALDH1A1TAS2R14
SCHEMBL394849 0.84 LMNA (0.53) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL2514583 0.82 ALDH1A1 (0.54) LMNAHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5024746 0.80 LMNA (0.70) LMNAHTTSMN1; SMN2RAB9ANPC1
Etebenecid SCHEMBL1643610 0.79 SMN1; SMN2 (0.75) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL165384 0.78 PSIP1 (0.57) LMNAHTTALDH1A1HPGDCA2
SCHEMBL4186041 0.78 HTT (0.54) LMNAHTTSMN1; SMN2RAB9ANPC1
SCHEMBL13365527 0.77 LMNA (0.66) LMNAHTTSMN1; SMN2RAB9ANPC1

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 LMNA 1833/4885HTT 322/4885SMN1; SMN2 773/4885

“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.