SCHEMBL20157409

SCHEMBL20157409

CC1(C)OB(c2cc(CS(=O)(=O)C3CC3)ccc2C(=O)c2ccc(F)cc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.35
EPHX2 P34913 5/20 0.34
PPARG P37231 5/20 0.34
MAPT P10636 3/20 0.33
PRNP P04156 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
POLB P06746 1/20 0.33
BRD4 O60885 1/20 0.33
THRB P10828 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HRH2 P25021 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 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
SCHEMBL20157558 0.86 CXCR2 (0.37) CXCR2MAPTPRNPCA1CA2
SCHEMBL20157420 0.85 CXCR2 (0.36) CXCR2MAPTPRNPCA1CA2
SCHEMBL20157880 0.85 CXCR2 (0.36) CXCR2MAPTPRNPCA1CA2
SCHEMBL21362027 0.84 CXCR2 (0.35) CXCR2MAPTPRNPCA1CA2
SCHEMBL20157410 0.81 CXCR2 (0.39) CXCR2MAPTPRNPPOLBBRD4
SCHEMBL20157565 0.79 LMNA (0.43) CXCR2MAPTPRNPCA1CA2
SCHEMBL21362596 0.78 LPL (0.42) CXCR2
SCHEMBL20158130 0.77 EPHX2 (0.37) EPHX2PPARGMAPTPRNPHTR2A
SCHEMBL21354518 0.77 CXCR2 (0.38) CXCR2MAPTPRNPCA1CA2
SCHEMBL21362081 0.77 CXCR2 (0.38) CXCR2MAPTPRNPCA1CA2

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 3 patents. 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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
WO-2018086605-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO 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 1976/4885EPHX2 4659/4885PPARG 1208/4885

“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.