SCHEMBL25549504

SCHEMBL25549504

CC1(C(NC(=O)c2ccc3ccccc3c2OCc2ccc(S(F)(F)F)cc2)C(=O)O)COC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 6/20 0.44
▸ MAOA P21397 1/20 0.35
▸ SLC6A5 Q9Y345 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ TACR2 P21452 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 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
SCHEMBL25548792 0.88 CXCR2 (0.44) CXCR2MAOASLC6A5BRD4DRD2
SCHEMBL23461203 0.88 CXCR2 (0.58) CXCR2MAOASLC6A5LMNAKDM4E
SCHEMBL23460676 0.86 CXCR2 (0.49) CXCR2MAOABRD4DRD2DRD3
SCHEMBL25549506 0.82 CXCR2 (0.45) CXCR2DRD2DRD3LMNAKDM4E
SCHEMBL23460906 0.82 CXCR2 (0.42) CXCR2MAOASLC6A5TACR2LMNA
SCHEMBL23461432 0.81 CXCR2 (0.46) CXCR2SLC6A5TACR2LMNAKDM4E
SCHEMBL25560308 0.81 CXCR2 (0.49) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL25549526 0.81 CXCR2 (0.49) CXCR2LMNAKDM4EALDH1A1GAA
SCHEMBL23461082 0.80 CXCR2 (0.60) CXCR2SLC6A5LMNAKDM4EALDH1A1
SCHEMBL25555354 0.80 CXCR2 (0.43) CXCR2ALDH1A1

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-20230159438-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-25 — — US disclosed
US-20230159438-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-25 — — 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 (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-20230159438-A1 ARYLAMIDES AND METHODS OF USE THEREOF CFTR, AADAC, ARSA CXCR2 1205/4885MAOA 1786/4885SLC6A5 641/4885

“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.

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