SCHEMBL2751899

SCHEMBL2751899

COc1ccc(OC)c(Oc2cs[c]n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LRRK2 Q5S007 2/20 0.41
CYP1A1 P04798 6/20 0.39
CYP1B1 Q16678 6/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
THRB P10828 1/20 0.38
NFE2L2 Q16236 1/20 0.37
HPGD P15428 1/20 0.37
RAD52 P43351 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL2751578 0.94 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2094702 0.89 CA2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2092777 0.80 MEN1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2752051 0.77 ALDH1A1 (0.41) CYP1A1CYP1B1ALDH1A1CYP1A2MEN1
SCHEMBL9487248 0.74 CA12 (0.81) CA12CA1CA2CA7CA9
SCHEMBL2750142 0.74 KMT2A (0.48) CA12CA1CA2CA7CA9
SCHEMBL2751219 0.74 SMN1; SMN2 (0.38) CA12CA1CA2CA7CA9
SCHEMBL1435812 0.74 CYP1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL2753033 0.73 SMN1; SMN2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2750680 0.73 CA12 (0.50) CA12CA1CA2CA7CA9

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
CN-101541764-B Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE 2012-10-10 CN disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (2 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 CA12 3457/4885CA1 3730/4885CA2 1278/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CA12 2393/4885CA1 3207/4885CA2 579/4885

“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.