SCHEMBL3097887

SCHEMBL3097887

O=C(c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.59
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 2/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CCR2 P41597 3/20 0.49
CCR4 P51679 2/20 0.49
ACLY P53396 2/20 0.49
CCR1 P32246 1/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CCR5 P51681 1/20 0.48
KCNH2 Q12809 1/20 0.48
FLT1 P17948 1/20 0.48

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
SCHEMBL13146564 0.91 KDM4E (0.60) CCKBRKDM4EL3MBTL1MAPTCYP3A4
SCHEMBL13146539 0.91 CCKBR (0.63) CCKBRKDM4EL3MBTL1MAPTCYP3A4
SCHEMBL13146501 0.88 SMN1; SMN2 (0.62) CCKBRKDM4EL3MBTL1MAPTCYP3A4
SCHEMBL3091669 0.88 CCR2 (0.56) CCKBRKDM4ECCR2
SCHEMBL13146627 0.85 CCKBR (0.54) CCKBRKDM4EL3MBTL1MAPTCYP3A4
SCHEMBL13146557 0.82 KDM4E (0.59) CCKBRKDM4EL3MBTL1CYP3A4CYP2C9
SCHEMBL13146519 0.81 ALDH1A1 (0.55) L3MBTL1CYP3A4CYP2C9RECQLSMN1; SMN2
SCHEMBL4750461 0.80 CCKBR (0.63) CCKBRKDM4EMAPT
SCHEMBL13146563 0.79 CYP3A4 (0.59) CCKBRKDM4EL3MBTL1MAPTCYP3A4
SCHEMBL3089865 0.79 ACLY (0.73) CYP3A4CYP2C9ALDH1A1CCR2CCR4

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 CCKBR 473/4885KDM4E 4250/4885L3MBTL1 2377/4885

“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.