SCHEMBL3095682

SCHEMBL3095682

COc1cc(NS(=O)(=O)c2cccc(Cl)c2)c(-c2ncno2)cc1OC.COc1ccc(-c2ncco2)c(NS(=O)(=O)c2cccc(Cl)c2)c1.O=S(=O)(Nc1cc(O)ccc1-c1ncco1)c1cccc(Cl)c1.O=S(=O)(Nc1cc2c(cc1-c1ncco1)OCO2)c1cccc(Cl)c1.O=S(=O)(Nc1ccc(O)cc1-c1ncco1)c1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 2/20 0.36
PIK3C2G O75747 2/20 0.36
SCN9A Q15858 2/20 0.36
PGR P06401 2/20 0.34
ACLY P53396 1/20 0.33
CCR9 P51686 3/20 0.33
GUSB P08236 1/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
MEN1 O00255 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AXL P30530 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAPT P10636 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
SCHEMBL4782048 0.78 PGR (0.54) SCN9APGRCCR9KMT2AALDH1A1
SCHEMBL4777634 0.78 SLC40A1 (0.47) SCN9APGRACLYKDM1AMAOA
SCHEMBL4775751 0.78 SLC40A1 (0.44) PGRACLYKDM1AMAOAMAPT
SCHEMBL4842459 0.78 ALDH1A1 (0.47) PGRKMT2AALDH1A1PKMMEN1
SCHEMBL3091275 0.77
SCHEMBL4781817 0.76 SLC40A1 (0.48) PIK3C2BPIK3C2GSCN9APGRACLY
SCHEMBL4840971 0.69 ALDH1A1 (0.47) KMT2AALDH1A1GAAPKMMEN1
SCHEMBL3089179 0.68 SLC40A1 (0.46) PGRACLYALDH1A1
SCHEMBL4781338 0.68 SLC40A1 (0.48) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL30304671 0.67 KEAP1 (0.50) PGRCCR9KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 PIK3C2B 3662/4885PIK3C2G 3682/4885SCN9A 640/4885

“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.