SCHEMBL18878126

SCHEMBL18878126

NC(=O)CN1Cc2c(Cl)ccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
VCAM1 P19320 1/20 0.35
AGTR1 P30556 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL18878163 0.80 DPP4 (0.43) DPP4DPP8DPP9MAPTTSHR
SCHEMBL18863242 0.77 TDP1 (0.42) TDP1VCAM1MAPTTSHRTP53
SCHEMBL23089572 0.76 TDP1 (0.39) TDP1VCAM1MAPTL3MBTL1TSHR
SCHEMBL18863158 0.76 VCAM1 (0.40) TDP1VCAM1MAPTL3MBTL1KDM4E
SCHEMBL30173025 0.71 TDP1 (0.39) TDP1VCAM1MAPTTSHRTP53
SCHEMBL18882824 0.71 TDP1 (0.39) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL23089544 0.70 LMNA (0.38) TDP1VCAM1MAPTCYP3A4HPGD
SCHEMBL18863279 0.68 ALDH1A1 (0.34) MAPTCYP3A4HPGDSMN1; SMN2ALDH1A1
SCHEMBL18863277 0.66 MEN1 (0.42) TDP1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL18863248 0.64 KAT2B (0.34) TDP1F2VCAM1MAPTL3MBTL1

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-20180170916-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2018-06-21 US disclosed
US-9809581-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2017-11-07 US disclosed
US-9809581-B2 Inhibitors of CXCR2 CHEMOCENTRYX, INC. (US) 2017-11-07 US disclosed
US-20170144996-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2017-05-25 US disclosed
US-20170144996-A1 INHIBITORS OF CXCR2 CHEMOCENTRYX, INC. 2017-05-25 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 (2 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-20170144996-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 DPP4 2511/4885DPP8 779/4885DPP9 960/4885
US-20180170916-A1 INHIBITORS OF CXCR2 CXCR2, CXCR3, CXCR1 DPP4 2514/4885DPP8 781/4885DPP9 960/4885

“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.