SCHEMBL3083406

SCHEMBL3083406

O=C(c1ccccc1F)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
CCR4 P51679 1/20 0.55
CCR5 P51681 1/20 0.55
KCNH2 Q12809 1/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
BDKRB1 P46663 1/20 0.52
CCR9 P51686 3/20 0.50
ACLY P53396 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL27668 0.91 LMNA (0.62) CCR2LMNAHTTKMT2ATP53
SCHEMBL13146461 0.90 LMNA (0.52) LMNAHTTKMT2ATP53MAPT
SCHEMBL28812 0.86 LMNA (0.73) CYP1A2LMNAHTTKMT2ATP53
SCHEMBL2530071 0.85 LMNA (0.74) CCR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3083603 0.84 LMNA (0.75) CCR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28828 0.84 LMNA (0.54) LMNAHTTKMT2ATP53MAPT
SCHEMBL12032416 0.84 LMNA (0.57) LMNAHTTKMT2ATP53MAPT
SCHEMBL27882 0.84 CCR9 (0.68) LMNAHTTKMT2ATP53MAPT
SCHEMBL13146558 0.83 LMNA (0.71) CCR2LMNAHTTKMT2ATP53
SCHEMBL12032422 0.83 LMNA (0.53) LMNAHTTKMT2ATP53MAPT

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
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
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 CCR2 1/4885CYP1A2 1529/4885CYP3A4 2491/4885

“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.