SCHEMBL19253110

SCHEMBL19253110

CC(C)(C)C1C(OS(=O)(=O)C(F)(F)F)=CCN1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.31
CXCR1 P25024 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL18860723 0.84
SCHEMBL21193763 0.83 CXCR2 (0.32) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL23721841 0.83 DRD2 (0.34) DRD2DRD4DRD3
SCHEMBL4750604 0.77 DRD2 (0.33) CXCR2DRD2DRD3
SCHEMBL2255224 0.76 AKR1C3 (0.32)
SCHEMBL505204 0.75 DRD2 (0.32) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL21193631 0.75 NR1H2 (0.35)
SCHEMBL17628950 0.72 DRD2 (0.33) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL27240520 0.72 DRD2 (0.33) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL17628812 0.72 DRD2 (0.33) CXCR2CXCR1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202765-B1 POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR HAINAN XUANZHU PHARMA CO LTD (CN) 2020-03-25 EP disclosed
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase Xuanzhu Pharma Co., Ltd. (CN) 2018-07-03 US disclosed
US-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-03-29 US disclosed
US-20170240534-A1 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE XUANZHU PHARMA CO LTD (CN) 2017-08-24 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 (3 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-20180086745-A9 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE IKBKE, DCK, CHUK CXCR2 4427/4885CXCR1 3611/4885DRD2 4572/4885
US-10011592-B2 Polycyclic inhibitor of anaplastic lymphoma kinase IKBKE, DCK, CHUK CXCR2 4427/4885CXCR1 3611/4885DRD2 4572/4885
US-20170240534-A1 POLYCYCLIC INHIBITOR OF ANAPLASTIC LYMPHOMA KINASE IKBKE, DCK, CHUK CXCR2 4427/4885CXCR1 3611/4885DRD2 4572/4885

“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.