SCHEMBL5452372

SCHEMBL5452372

CCCS(=O)(=O)Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
HPGD P15428 5/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CYP26A1 O43174 3/20 0.46
FABP4 P15090 1/20 0.46
CYP26B1 Q9NR63 1/20 0.46
CASP6 P55212 1/20 0.45
AR P10275 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1421898 0.88 HPGD (0.65) GAAHPGDALDH1A1LMNAPOLB
SCHEMBL12255153 0.82 LMNA (0.58) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5310632 0.81 CA12 (0.48) HPGDLMNAHTTSMN1; SMN2
SCHEMBL7761720 0.81 HPGD (0.58) HPGDALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5346088 0.81 HPGD (0.46) GAAHPGDALDH1A1LMNAHTT
SCHEMBL9489980 0.80 HPGD (0.57) GAAHPGDALDH1A1LMNAHTT
SCHEMBL1422207 0.80 ALDH1A1 (0.63) GAAHPGDALDH1A1LMNAPOLB
SCHEMBL8866950 0.79 HPGD (0.51) HPGDLMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL11153249 0.78 HPGD (0.59) HPGDLMNAPOLBHTTSMN1; SMN2
SCHEMBL7761718 0.78 HPGD (0.55) HPGDALDH1A1LMNAHTTSMN1; SMN2

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 GAA 639/4885HPGD 918/4885ALDH1A1 816/4885

“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.