SCHEMBL2750837

SCHEMBL2750837

COc1cccc(OC)c1-c1cn[c]s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TOP1 P11387 1/20 0.36
APP P05067 1/20 0.35
MCHR1 Q99705 1/20 0.35
CRHR1 P34998 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL500675 0.81 APP (0.55) CA1CA2CA7CA9CA12
SCHEMBL2752768 0.80 MGAM (0.46) APPALDH1A1MAPTKDM4ETP53
SCHEMBL1895969 0.73 APP (0.52) CA1CA2CA7CA9CA12
SCHEMBL2752117 0.72 SMN1; SMN2 (0.40) CA1CA2CA7CA9CA12
SCHEMBL2751757 0.72 PDE4A (0.43) ALDH1A1LMNAMAPTKDM4ETP53
SCHEMBL28164112 0.72 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL2751640 0.72 CA1 (0.32) CA1CA2CA7CA9
SCHEMBL2753459 0.72 FGFR1 (0.35) LMNA
SCHEMBL2752544 0.71 CA12 (0.44) CA1CA2CA7CA9CA12
SCHEMBL500354 0.71 DYRK1A (0.47) ALDH1A1CYP3A4MAPTKDM4ETP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 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 (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 CA1 3730/4885CA2 1278/4885CA7 2086/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CA1 3207/4885CA2 579/4885CA7 1309/4885

“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.