SCHEMBL3089179

SCHEMBL3089179

O=S(=O)(Nc1cc(O)c(O)cc1-c1ncno1)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.46
WDR5 P61964 1/20 0.45
ACLY P53396 1/20 0.44
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
ERBB2 P04626 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PGR P06401 5/20 0.43
CCR2 P41597 1/20 0.41
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.40

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
SCHEMBL4779116 0.85 MEN1 (0.42) CCR2ALDH1A1TSHRPTGES2
SCHEMBL4776621 0.84 MEN1 (0.51) SLC40A1ACLYPGRCCR2TSHR
SCHEMBL4842459 0.84 ALDH1A1 (0.47) SLC40A1EDNRBEDNRAPGRCCR2
SCHEMBL4775751 0.84 SLC40A1 (0.44) SLC40A1ACLYEDNRBEDNRAPGR
SCHEMBL4777477 0.81 EDNRB (0.50) SLC40A1WDR5ACLYEDNRBEDNRA
SCHEMBL4781817 0.70 SLC40A1 (0.48) SLC40A1WDR5ACLYEDNRBEDNRA
SCHEMBL4780513 0.70 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL4781224 0.70 GFER (0.43) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL4781581 0.69 AXL (0.49) SLC40A1ACLYTSHRPTGES2
SCHEMBL4780514 0.69 GLO1 (0.41) PGRFBP1ALDH1A1

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
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 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 (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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 SLC40A1 2689/4885WDR5 1485/4885ACLY 3799/4885

“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.