SCHEMBL21362081

SCHEMBL21362081

C[S+]([O-])Cc1ccc(C(=O)c2ccc(F)cc2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.38
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MAPT P10636 3/20 0.33
PRNP P04156 1/20 0.33
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 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
SCHEMBL20157904 0.89 CXCR2 (0.35) CXCR2LPLLIPGCA1CA2
SCHEMBL20157565 0.82 LMNA (0.43) CXCR2LPLLIPGCA1CA2
SCHEMBL21362596 0.81 LPL (0.42) CXCR2LPLLIPG
SCHEMBL20157558 0.81 CXCR2 (0.37) CXCR2LPLLIPGCA1CA2
SCHEMBL20157831 0.80 CXCR2 (0.40) CXCR2LPLLIPGMAPTPRNP
SCHEMBL20157420 0.80 CXCR2 (0.36) CXCR2LPLLIPGCA1CA2
SCHEMBL20157880 0.80 CXCR2 (0.36) CXCR2LPLLIPGCA1CA2
SCHEMBL20158134 0.80 SRD5A2 (0.35) CA1CA2CA9MAPTSMN1; SMN2
SCHEMBL21362027 0.79 CXCR2 (0.35) CXCR2LPLLIPGCA1CA2
SCHEMBL21362406 0.78 CES2 (0.33) CXCR2F2F11PRSS1PRSS2

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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 CXCR2 1976/4885LPL 4609/4885LIPG 4726/4885

“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.