SCHEMBL2751809

SCHEMBL2751809

FC(F)(F)c1ccc(C(F)(F)F)c(-n2cc[c]n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.37
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
XPO1 O14980 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NOTUM Q6P988 3/20 0.33
ADRB2 P07550 1/20 0.33
NCF1 P14598 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE2A O00408 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2751421 0.88 HCAR1 (0.43) CES2PKMALDH1A1HCAR1NOTUM
SCHEMBL17710272 0.75 NOTUM (0.41) NOTUMMAPT
SCHEMBL2752972 0.74 NOTUM (0.46) NOTUM
SCHEMBL2751352 0.73 CES2 (0.38) CES2PKMALDH1A1HCAR1XPO1
SCHEMBL7229114 0.73 NOTUM (0.56) ALDH1A1NOTUMMEN1KMT2ACYP1A2
SCHEMBL2752418 0.72 MAPT (0.36) ALDH1A1HCAR1NOTUMNCF1MEN1
SCHEMBL2752068 0.72 CES2 (0.34) CES2
SCHEMBL2751668 0.71 AR (0.41) CES2ALDH1A1NOTUMNFKB1
SCHEMBL2749018 0.71 ALDH1A1 (0.40) CES2PKMALDH1A1HCAR1XPO1
SCHEMBL2752166 0.70 MAPT (0.33) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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 3193/4885PKM 1263/4885ALDH1A1 1588/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 CES2 2811/4885PKM 381/4885ALDH1A1 2607/4885

“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.