SCHEMBL2752051

SCHEMBL2752051

COc1cc(OC)cc(Oc2cs[c]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP1A1 P04798 7/20 0.39
CYP1B1 Q16678 7/20 0.39
CYP1A2 P05177 3/20 0.33
CYP2E1 P05181 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP4B1 P13584 2/20 0.33
CYP2B6 P20813 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP2A7 P20853 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2F1 P24903 2/20 0.33
CYP2C18 P33260 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2J2 P51589 2/20 0.33
CYP4F2 P78329 2/20 0.33

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
SCHEMBL2092777 0.85 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL2098152 0.80 KDM4E (0.31) KDM4E
SCHEMBL2094702 0.78 CA2 (0.47) ALDH1A1CYP1A1CYP1B1CYP1A2L3MBTL1
SCHEMBL2753977 0.78 KDM4E (0.31) KDM4E
SCHEMBL2751404 0.77 KCNH2 (0.38)
SCHEMBL2751578 0.77 CA12 (0.50) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL2751899 0.77 CA12 (0.50) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL2095700 0.76 MEN1 (0.53) ALDH1A1CYP2C9KDM4EMEN1KMT2A
SCHEMBL2749440 0.74 CYP1B1 (0.50) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL2752261 0.74 HAO1 (0.47) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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 ALDH1A1 1588/4885CYP1A1 1616/4885CYP1B1 1464/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ALDH1A1 2607/4885CYP1A1 599/4885CYP1B1 622/4885

“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.