SCHEMBL31594086

SCHEMBL31594086

O=S1(=O)N=C(NCc2c(Cl)cccc2Cl)Nc2c(Oc3ccccc3Cl)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 11/20 0.47
CXCR1 P25024 5/20 0.39
KDM1A O60341 3/20 0.38
RCOR1 Q9UKL0 3/20 0.38
SMOX Q9NWM0 2/20 0.37
EIF2AK1 Q9BQI3 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SERPINE1 P05121 1/20 0.33
ADRA1D P25100 1/20 0.33
ADORA2A P29274 1/20 0.33
HTR7 P34969 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
SCHEMBL31594090 0.94 CXCR2 (0.43) CXCR2CXCR1KDM1ARCOR1POLB
SCHEMBL31594638 0.94 CXCR2 (0.43) CXCR2CXCR1KDM1ARCOR1SMOX
SCHEMBL31594557 0.93 CXCR2 (0.43) CXCR2CXCR1KDM1ARCOR1CYP2C9
SCHEMBL31594364 0.91 CXCR2 (0.46) CXCR2CXCR1CYP2C9LMNAPOLB
SCHEMBL31594554 0.91 CXCR2 (0.46) CXCR2CXCR1KDM1ARCOR1SMOX
SCHEMBL31594096 0.90 CXCR2 (0.45) CXCR2CXCR1CYP2C9
SCHEMBL31594321 0.90 CXCR2 (0.41) CXCR2CXCR1CYP2C9
SCHEMBL31594124 0.89 CXCR2 (0.44) CXCR2CXCR1CYP2C9LMNAMAPK14
SCHEMBL31594646 0.89 CXCR2 (0.47) CXCR2CXCR1CYP2C9LMNACA12
SCHEMBL31594625 0.88 CXCR2 (0.43) CXCR2CXCR1LMNAMAPTMAPK14

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 1016/4885KDM1A 4129/4885

“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.