SCHEMBL20157904

SCHEMBL20157904

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.35
THRB P10828 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MAPT P10636 3/20 0.32
PRNP P04156 1/20 0.32
POLB P06746 1/20 0.32
UCHL1 P09936 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CHRNA7 P36544 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL20158134 0.91 SRD5A2 (0.35) MAPTUCHL1CA1CA2CA9
SCHEMBL21362081 0.89 CXCR2 (0.38) CXCR2THRBLPLLIPGMAPT
SCHEMBL21362406 0.89 CES2 (0.33) CXCR2
SCHEMBL21362596 0.82 LPL (0.42) CXCR2LPLLIPGALDH1A1LMNA
SCHEMBL20157420 0.81 CXCR2 (0.36) CXCR2THRBLPLLIPGMAPT
SCHEMBL20157831 0.81 CXCR2 (0.40) CXCR2THRBLPLLIPGMAPT
SCHEMBL20157565 0.81 LMNA (0.43) CXCR2THRBLPLLIPGMAPT
SCHEMBL20157558 0.80 CXCR2 (0.37) CXCR2THRBLPLLIPGMAPT
SCHEMBL20157880 0.78 CXCR2 (0.36) CXCR2THRBLPLLIPGMAPT
SCHEMBL20157906 0.78 MAPT (0.36) THRBMAPTCHRNA7ALDH1A1LMNA

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 1976/4885THRB 2103/4885LPL 4609/4885

“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.