SCHEMBL2751998

SCHEMBL2751998

Fc1ccc(Oc2cc[c]nc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 2/20 0.42
TRPA1 O75762 1/20 0.39
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAP4K4 O95819 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ESR1 P03372 1/20 0.32
SCN9A Q15858 1/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 2/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
MAOB P27338 1/20 0.30
AOC3 Q16853 1/20 0.30

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
SCHEMBL27797450 0.80 GAA (0.41) SOS1TRPA1SCN9AKCNH2L3MBTL1
SCHEMBL2753743 0.79 FFAR4 (0.35) FFAR4
SCHEMBL2751593 0.78 HSPB1 (0.33) HTR2ASLC6A4SCN9APPARGKCNH2
SCHEMBL10392861 0.77 MAOA (0.45) SCN9ALMNAKCNH2MAOBL3MBTL1
SCHEMBL2752328 0.76 SOS1 (0.53) SOS1TRPA1HTR2ASLC6A4MAP4K4
SCHEMBL3996802 0.76 AR (0.36) SCN9ACYP11B1CYP11B2
SCHEMBL2750317 0.74 GCK (0.34) SLC6A4
SCHEMBL2752034 0.73 HSPB1 (0.44) TRPA1
SCHEMBL2753228 0.72 SOS1 (0.42) SOS1TRPA1HTR2ASLC6A4MAP4K4
SCHEMBL445708 0.72 LTA4H (0.50) LMNATDP1CYP11B1CYP11B2MAOB

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 SOS1 487/4885TRPA1 354/4885HTR2A 3954/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 SOS1 1477/4885TRPA1 697/4885HTR2A 3536/4885

“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.