SCHEMBL31594628

SCHEMBL31594628

COCCNC1=NS(=O)(=O)c2cccc(Oc3ccccc3Cl)c2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.44
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CXCR1 P25024 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SLC40A1 Q9NP59 2/20 0.35
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPK14 Q16539 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
SCHEMBL31594216 0.89 CXCR2 (0.46) CXCR2CXCR1CYP2C9HSD17B10PTGS1
SCHEMBL31594646 0.87 CXCR2 (0.47) CXCR2CXCR1CYP2C9HSD17B10MAPK14
SCHEMBL22616763 0.85 CXCR2 (0.46) CXCR2HPGDCXCR1KDM4EALDH1A1
SCHEMBL29604502 0.85 CXCR2 (0.46) CXCR2HPGDCXCR1KDM4EALDH1A1
SCHEMBL31594086 0.85 CXCR2 (0.47) CXCR2CXCR1CYP2C9MAPK14
SCHEMBL31594232 0.84 CXCR2 (0.43) CXCR2HPGDCXCR1CYP1A2CYP2C19
SCHEMBL31594230 0.84 CXCR2 (0.43) CXCR2TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL31594637 0.83 CXCR2 (0.50) CXCR2CXCR1CYP2C9HSD17B10PTGS1
SCHEMBL31594107 0.83 CXCR2 (0.44) CXCR2HPGDCXCR1CYP3A4CYP2C19
SCHEMBL31594554 0.83 CXCR2 (0.46) CXCR2HPGDCXCR1SMN1; SMN2CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT INCYTE CORPORATION 2025-05-29 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 (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-20250170141-A1 MRGPRX2 MODULATORS AND RELATED METHODS OF TREATMENT MRGPRX2, MRGPRX1, MRGPRX4 CXCR2 763/4885HPGD 1357/4885TSHR 89/4885

“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.