SCHEMBL5831003

SCHEMBL5831003

O=C(Cc1nnc(NS(=O)(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)s1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HSD11B1 P28845 1/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
ELANE P08246 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL5831254 0.91 KMT2A (0.51) KMT2AHSD11B1GAAMEN1POLB
SCHEMBL5831259 0.88 GAA (0.52) KMT2AGAAMEN1CA1CA2
SCHEMBL5830701 0.87 GAA (0.47) KMT2AHSD11B1GAACA1CA2
SCHEMBL5832071 0.86 GAA (0.49) GAANPC1RAB9ACA1CA2
SCHEMBL3256545 0.85 HSD11B1 (0.51) KMT2AHSD11B1GAAMEN1POLB
SCHEMBL5831505 0.85 GAA (0.45) KMT2AHSD11B1GAAMEN1POLB
SCHEMBL5830875 0.84 ALDH1A1 (0.54) KMT2AGAAMEN1POLBCA1
SCHEMBL5831276 0.84 GAA (0.45) KMT2AHSD11B1GAACA1CA2
SCHEMBL5831528 0.84 NPC1 (0.47) KMT2AGAAMEN1POLBNPC1
SCHEMBL5830943 0.84 KMT2A (0.47) KMT2AHSD11B1GAAMEN1POLB

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
WO-2004113310-A1 USE OF AN INHIBITOR OF 11-B-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPOUNDS FOR PROMOTING WOUND HEALING BIOVITRUM AB (SE) 2004-12-29 WO claimed
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 KMT2A 2980/4885HSD11B1 2/4885GAA 265/4885

“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.