SCHEMBL21362222

SCHEMBL21362222

CC1(C)OB(c2cc(CS(C)(=O)=O)cnc2C(=O)c2ccc(F)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.41
VNN1 O95497 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
UCHL1 P09936 1/20 0.32
ELANE P08246 1/20 0.32
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LIPE Q05469 2/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL20157558 0.82 CXCR2 (0.37) CXCR2LPLLIPGCA1CA2
SCHEMBL21190878 0.74 BRD4 (0.48)
SCHEMBL20157420 0.72 CXCR2 (0.36) CXCR2LPLLIPGCA1CA2
SCHEMBL20157690 0.72 SRD5A2 (0.37) CA1CA2CA9UCHL1NPC1
SCHEMBL20157880 0.72 CXCR2 (0.36) CXCR2LPLLIPGCA1CA2
SCHEMBL21362027 0.71 CXCR2 (0.35) CXCR2LPLLIPGCA1CA2
SCHEMBL21190853 0.70 BRD4 (0.45) LPLLIPGCA1CA2CA9
SCHEMBL21354518 0.70 CXCR2 (0.38) CXCR2LPLLIPGCA1CA2
SCHEMBL21190844 0.70 BRD4 (0.44) CXCR2LPLLIPGCA1CA2
SCHEMBL20157409 0.69 CXCR2 (0.35) CXCR2CA1CA2CA9

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 1976/4885VNN1 3340/4885PDE10A 4447/4885

“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.