SCHEMBL31594232

SCHEMBL31594232

O=S1(=O)N=C(NCCCc2ccccc2)Nc2c(Oc3ccccc3Cl)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 8/20 0.43
CXCR1 P25024 4/20 0.38
PKM P14618 1/20 0.34
TYMP P19971 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
KCNA3 P22001 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
SERPINE1 P05121 1/20 0.32
ADRA1D P25100 1/20 0.32
ADORA2A P29274 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MAPK14 Q16539 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL31594554 0.88 CXCR2 (0.46) CXCR2CXCR1HPGDMAPTCYP2C9
SCHEMBL31594498 0.86 CXCR2 (0.44) CXCR2CXCR1PKMCYP2C9SERPINE1
SCHEMBL31594216 0.85 CXCR2 (0.46) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594077 0.85 CXCR2 (0.40) CXCR2CXCR1CYP2C9POLB
SCHEMBL31594628 0.84 CXCR2 (0.44) CXCR2CXCR1HPGDCYP2C9MAPK14
SCHEMBL31594646 0.83 CXCR2 (0.47) CXCR2CXCR1CYP2C9SERPINE1ADRA1D
SCHEMBL31594086 0.83 CXCR2 (0.47) CXCR2CXCR1MAPTCYP2C9SERPINE1
SCHEMBL31594714 0.82 CXCR2 (0.41) CXCR2CXCR1PKMTAAR1CYP1A2
SCHEMBL31594124 0.82 CXCR2 (0.44) CXCR2CXCR1L3MBTL1HPGDCYP2C9
SCHEMBL31594364 0.81 CXCR2 (0.46) CXCR2CXCR1L3MBTL1CYP2C9POLB

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 763/4885CXCR1 1016/4885PKM 1642/4885

“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.