SCHEMBL2750985

SCHEMBL2750985

FC(F)(F)c1ccc(C(F)(F)F)c(Oc2nc[c]s2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CES2 O00748 2/20 0.34
LRRK2 Q5S007 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
RAB9A P51151 1/20 0.32
SRD5A2 P31213 1/20 0.32
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
LMNA P02545 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2752476 0.89 RXRA (0.44) RXRARXRBRXRGCES2LRRK2
SCHEMBL2752752 0.79 ALOX5AP (0.33)
SCHEMBL2750792 0.77 CES2 (0.34) CES2LRRK2HTR1ADRD2HTR2A
SCHEMBL2751030 0.74 RXRA (0.33) RXRARXRBRXRG
SCHEMBL2751747 0.74 TLR8 (0.33) CES2L3MBTL1NPSR1
SCHEMBL2750242 0.74 CES2 (0.36) CES2L3MBTL1RAB9AKDM4E
SCHEMBL2753381 0.73 MAOB (0.31) RXRARXRBRXRG
SCHEMBL2751533 0.72 CES2 (0.37) RXRARXRBRXRGCES2SRD5A2
SCHEMBL2751501 0.71 CES2 (0.34) CES2LRRK2HTR1ADRD2HTR2A
SCHEMBL3992362 0.71 KMT2A (0.37) RXRARXRBRXRGCES2LRRK2

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 5 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-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

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 RXRA 4567/4885RXRB 4758/4885RXRG 4834/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 RXRA 3505/4885RXRB 3867/4885RXRG 3977/4885

“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.