SCHEMBL3083474

SCHEMBL3083474

COc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ncco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
SLC25A1 P53007 1/20 0.46
SLC10A2 Q12908 1/20 0.45
SLC10A1 Q14973 1/20 0.45
SLC10A6 Q3KNW5 1/20 0.45
VCAM1 P19320 2/20 0.45
MAPT P10636 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CCR9 P51686 1/20 0.43
ALDH3A1 P30838 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
HSPD1 P10809 2/20 0.41
PTPN2 P17706 2/20 0.41

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
SCHEMBL4780415 0.84 MEN1 (0.57) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL4781526 0.84 MEN1 (0.48) MAPTCCR9ALDH1A1LMNAHTT
SCHEMBL4777554 0.81 PKM (0.46) CCR9SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL3095654 0.81 STAT3 (0.51) MAPTCCR9SMN1; SMN2ALDH1A1LMNA
SCHEMBL18315257 0.80 KEAP1 (0.50) CCR9SLC40A1LMNAHTTMEN1
SCHEMBL30304671 0.80 KEAP1 (0.50) CCR9SLC40A1LMNAHTTMEN1
SCHEMBL4781379 0.79 TSHR (0.46) CCR9ALDH1A1LMNAHTTMEN1
SCHEMBL17843843 0.79 DNMT1 (0.56) DNMT1DNMT3ASLC25A1SLC10A2SLC10A1
SCHEMBL3098055 0.78 AXL (0.52) SLC40A1MEN1KMT2AKEAP1NFE2L2
SCHEMBL4779121 0.76 KEAP1 (0.45) MAPTCCR9SMN1; SMN2HPGDSLC40A1

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 2 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
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 DNMT1 4805/4885DNMT3A 4538/4885SLC25A1 2158/4885

“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.