SCHEMBL2750573

SCHEMBL2750573

FC(F)(F)c1ccc(C(F)(F)F)c(Oc2c[c]cs2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.35
HTR2A P28223 2/20 0.32
SLC6A4 P31645 2/20 0.32
KCNH2 Q12809 2/20 0.32
PTPN5 P54829 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2753626 0.88 ESRRA (0.37) CES2HTR2ASLC6A4KCNH2PTPN5
SCHEMBL2751344 0.79 AR (0.36)
SCHEMBL2750242 0.75 CES2 (0.36) CES2PTPN5RAB9AL3MBTL1KDM4E
SCHEMBL2751985 0.73 AR (0.32)
SCHEMBL2753442 0.73 TLR8 (0.33)
SCHEMBL2750792 0.72 CES2 (0.34) CES2HTR2A
SCHEMBL2751501 0.72 CES2 (0.34) CES2HTR2A
SCHEMBL2749816 0.72 CES2 (0.39) CES2PTPN5ALDH1A1HPGD
SCHEMBL2753616 0.72 AR (0.30)
SCHEMBL2752529 0.72 L3MBTL1 (0.36) CES2HTR2ASLC6A4KCNH2PTPN5

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 3 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

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 CES2 3193/4885HTR2A 3954/4885SLC6A4 1639/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CES2 2811/4885HTR2A 3536/4885SLC6A4 2531/4885

“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.