SCHEMBL20157487

SCHEMBL20157487

CCS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)c2ccc(F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MRGPRX1 Q96LB2 7/20 0.36
PSIP1 O75475 1/20 0.35
BDKRB1 P46663 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 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
SCHEMBL21362155 0.90 KMT2A (0.39) CXCR2MAPTHPGDKDM4EALDH1A1
SCHEMBL21362221 0.83 CXCR2 (0.39) CXCR2MAPTLMNATP53HTT
SCHEMBL20157980 0.80 LMNA (0.38) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL20157667 0.78 MAPT (0.43) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL21362156 0.76 CXCR2 (0.38) CXCR2MAPTHPGDKDM4EALDH1A1
SCHEMBL21354518 0.74 CXCR2 (0.38) CXCR2MAPTALDH1A1LMNATP53
SCHEMBL20157420 0.74 CXCR2 (0.36) CXCR2MAPTALDH1A1LMNATP53
SCHEMBL20157902 0.74 CXCR2 (0.41) CXCR2MAPTALDH1A1LMNATP53
SCHEMBL20158006 0.73 HTT (0.39) CXCR2MAPTALDH1A1LMNAHTT
SCHEMBL21354477 0.73 CXCR2 (0.40) CXCR2KMT2ACA1CA2CA9

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
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
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 1976/4885MAPT 237/4885HPGD 1266/4885

“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.