SCHEMBL305206

SCHEMBL305206

CC(C)Nc1cccc(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LCK P06239 2/20 0.41
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40
MAP3K5 Q99683 1/20 0.40
SCN9A Q15858 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38

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
SCHEMBL29394473 0.89 LCK (0.47) SMN1; SMN2LCKMEN1RAB9AKMT2A
SCHEMBL14622117 0.83 LCK (0.43) SMN1; SMN2LCKSCN9AMEN1RAB9A
SCHEMBL12890504 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LCKSCN9AXIAP
SCHEMBL304517 0.81 KCNH2 (0.48) SMN1; SMN2LCKSCN9AMEN1RAB9A
SCHEMBL29510654 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LCKMEN1KMT2A
SCHEMBL1712579 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LCKMEN1KMT2A
SCHEMBL533505 0.80 RAB9A (0.62) SMN1; SMN2MEN1RAB9AKMT2ANPC1
SCHEMBL31151002 0.80 RAB9A (0.62) SMN1; SMN2MEN1RAB9AKMT2ANPC1
SCHEMBL22523913 0.80 LCK (0.43) LCKSCN9AMEN1RAB9AKMT2A
SCHEMBL17617912 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LCKSCN9APCSK9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-8093247-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2012-01-10 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US 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 (8 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885LCK 1075/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 SMN1; SMN2 4160/4885ALDH1A1 1867/4885LCK 299/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885LCK 1075/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 SMN1; SMN2 2479/4885ALDH1A1 2327/4885LCK 912/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885LCK 1075/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885LCK 1075/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885LCK 1075/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885ALDH1A1 2834/4885LCK 1075/4885

“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.