SCHEMBL3089865

SCHEMBL3089865

O=C(O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.73
CCR2 P41597 5/20 0.67
CCR5 P51681 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CCR4 P51679 2/20 0.67
KCNH2 Q12809 1/20 0.67
CCR1 P32246 1/20 0.62
FLT1 P17948 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM1A O60341 1/20 0.56
ALDH1A1 P00352 1/20 0.54
SLC25A1 P53007 1/20 0.54

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
SCHEMBL492000 0.89 ACLY (0.72) ACLYCCR2CCR5CYP1A2CYP3A4
SCHEMBL6713098 0.88 KDM1A (0.68) ACLYCCR2CCR1KDM1AALDH1A1
SCHEMBL11584340 0.86 CCR2 (0.58) ACLYCCR2CCR5CYP1A2CYP3A4
SCHEMBL1104715 0.85 CCR2 (0.67) ACLYCCR2KDM1A
SCHEMBL34475240 0.84 MEN1 (0.78) ACLYCCR2CCR5CYP1A2CYP3A4
SCHEMBL21999967 0.84 ACLY (1.00) ACLY
SCHEMBL3810580 0.84 ACLY (0.70) ACLYCCR2KDM1A
SCHEMBL491635 0.81 ACLY (0.57) ACLYCCR2CCR5CYP1A2CYP3A4
SCHEMBL11493368 0.81 ACLY (0.60) ACLYCCR2CCR5CYP1A2CYP3A4
SCHEMBL11583295 0.81 ACLY (0.60) ACLYCCR2CCR5CYP1A2CYP3A4

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
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

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 ACLY 3799/4885CCR2 1/4885CCR5 9/4885

“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.