SCHEMBL4779280

SCHEMBL4779280

O=S(=O)(Nc1ccc(O)cc1-c1ncco1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CLK1 P49759 1/20 0.50
GAA P10253 1/20 0.50
CKS1B P61024 2/20 0.49
SKP2 Q13309 2/20 0.49
ACLY P53396 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
HSD17B2 P37059 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL4778521 0.92 SLC40A1 (0.51) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL3091703 0.90 CCR9 (0.43) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL4727559 0.88 SLC40A1 (0.51) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL30304828 0.88 SLC40A1 (0.51) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL3078414 0.87 SLC40A1 (0.57) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL31478924 0.87 SLC40A1 (0.57) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL4780299 0.86 CYP3A4 (0.41) MEN1KMT2ALMNAAXLBRAF
SCHEMBL4777143 0.86 SLC40A1 (0.49) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL4781896 0.85 SLC40A1 (0.53) SLC40A1MEN1KMT2ACLK1GAA
SCHEMBL3097960 0.85 AXL (0.53) SLC40A1MEN1KMT2ACLK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
WO-2005113490-A1 SULFONE-CONTAINING PRODRUGS ICAGEN, INC. (US) 2005-12-01 WO disclosed
US-20050267032-A1 Sulfone-containing prodrugs ICAGEN, INC. (US) 2005-12-01 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 (1 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-20050267032-A1 Sulfone-containing prodrugs KCNQ5, KCNE1, KCNH2 SLC40A1 719/4885MEN1 2143/4885KMT2A 1696/4885

“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.