SCHEMBL3090152

SCHEMBL3090152

O=C(c1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
HTT P42858 2/20 0.70
BDKRB1 P46663 4/20 0.60
CCR9 P51686 4/20 0.60
CCR2 P41597 2/20 0.58
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNA5 P22460 1/20 0.55
DUSP26 Q9BV47 1/20 0.55
ERBB2 P04626 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
SLC10A6 Q3KNW5 1/20 0.54
FLT1 P17948 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL12221304 0.89 CCR9 (0.66) LMNAHTTBDKRB1CCR9CCR2
SCHEMBL28006 0.89 LMNA (0.86) LMNAHTTBDKRB1CCR9CCR2
SCHEMBL2534648 0.89 BDKRB1 (0.73) LMNAHTTBDKRB1CCR9CCR2
SCHEMBL3078432 0.89 LMNA (0.60) LMNAHTTBDKRB1CCR9CCR2
SCHEMBL13180354 0.86 LMNA (0.56) LMNAHTTBDKRB1CCR9CCR2
SCHEMBL27979 0.85 LMNA (0.83) LMNAHTTCCR9CCR2TP53
SCHEMBL6713098 0.84 KDM1A (0.68) CCR2DUSP26ALDH1A1
SCHEMBL13146456 0.84 CCR2 (0.62) LMNAHTTCCR2
SCHEMBL13137558 0.83 LMNA (0.80) LMNAHTTCCR9CCR2TP53
SCHEMBL12242366 0.83 LMNA (0.80) LMNAHTTCCR9TP53MAPT

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 LMNA 4007/4885HTT 3097/4885BDKRB1 78/4885

“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.