SCHEMBL5830875

SCHEMBL5830875

CSc1ccc(-c2ccc(S(=O)(=O)Nc3nnc(CC(=O)N4CCOCC4)s3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HTT P42858 2/20 0.54
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP13 P45452 1/20 0.46
GAA P10253 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
AKT1 P31749 3/20 0.43
IRS1 P35568 1/20 0.43
GAB1 Q13480 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL5831259 0.89 GAA (0.52) ALDH1A1HTTMMP2MMP13GAA
SCHEMBL5830701 0.88 GAA (0.47) ALDH1A1GAACA1CA2AKT1
SCHEMBL5831254 0.88 KMT2A (0.51) ALDH1A1HTTGAACA1CA2
SCHEMBL3255322 0.85 ALDH1A1 (0.56) ALDH1A1HTTMMP1MMP2MMP3
SCHEMBL5832260 0.85 GAA (0.45) ALDH1A1GAACA1CA2AKT1
SCHEMBL5831276 0.85 GAA (0.45) ALDH1A1GAACA1CA2AKT1
SCHEMBL5831003 0.84 KMT2A (0.47) ALDH1A1GAACA1CA2SMN1; SMN2
SCHEMBL5831527 0.83 ALDH1A1 (0.54) ALDH1A1HTTMMP1MMP2MMP3
SCHEMBL5831018 0.83 GAA (0.47) ALDH1A1GAACA1CA2AKT1
SCHEMBL5831528 0.83 NPC1 (0.47) ALDH1A1GAAAKT1SMN1; SMN2KMT2A

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-20030130258-A1 Antidiabetic agents; liver disorders; cardiovascular disorders; dietetics BIOVITRUM AB (SE) 2003-07-10 US claimed
US-7074788-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2006-07-11 US disclosed
US-20030130258-A1 Antidiabetic agents; liver disorders; cardiovascular disorders; dietetics BIOVITRUM AB (SE) 2003-07-10 US 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-20030130258-A1 Antidiabetic agents; liver disorders; cardiovascular disorders; dietetics CPT1A, HSD11B1, CES1 ALDH1A1 63/4885HTT 2548/4885MMP1 554/4885

“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.