SCHEMBL3089394

SCHEMBL3089394

O=C(c1ccccc1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 5/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GAA P10253 1/20 0.61
KDM1A O60341 2/20 0.54
CCR9 P51686 1/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
PGR P06401 1/20 0.52
SLC20A2 Q08357 1/20 0.52
SLC20A1 Q8WUM9 1/20 0.52
CCR2 P41597 3/20 0.51
CCR1 P32246 2/20 0.51
CCR4 P51679 1/20 0.51
MCL1 Q07820 1/20 0.50
USP36 Q9P275 1/20 0.49
KAT6A Q92794 1/20 0.49
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 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
SCHEMBL12221343 0.91 CCR9 (0.66) ACLYMEN1KMT2AGAACCR9
SCHEMBL13146456 0.84 CCR2 (0.62) LMNAHTTCCR2
SCHEMBL3090152 0.82 LMNA (0.70) KMT2ACCR9LMNAHTTCCR2
SCHEMBL3078432 0.82 LMNA (0.60) ACLYKMT2ACCR9LMNAHTT
SCHEMBL12221311 0.80 CCR9 (0.82) KMT2AKDM1ACCR9LMNAHTT
SCHEMBL12221304 0.80 CCR9 (0.66) CCR9LMNAHTTCCR2
SCHEMBL13180354 0.79 LMNA (0.56) ACLYKMT2ACCR9LMNAHTT
SCHEMBL7572164 0.79 CCR2 (0.59) ACLYMEN1KMT2AGAAKDM1A
SCHEMBL2533357 0.78 KMT2A (0.64) ACLYMEN1KMT2AGAAKDM1A
SCHEMBL2531458 0.77 LMNA (0.69) ACLYKMT2ACCR9LMNAHTT

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 3799/4885MEN1 4867/4885KMT2A 2576/4885

“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.