SCHEMBL21352154

SCHEMBL21352154

CCS(=O)(=O)CCN(c1cc(Br)c(C(=O)c2ccc(F)cc2)cc1F)[SH](=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
RXRA P19793 1/20 0.31
GAA P10253 3/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30

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
SCHEMBL21352002 0.92 KMT2A (0.34) TP53MAPTKMT2AMEN1LMNA
SCHEMBL21352187 0.89 MAPT (0.34) CHRNA7TP53THRBMAPTKMT2A
SCHEMBL21352132 0.80 KMT2A (0.37) MAPTKMT2ALMNAHTTRXRA
SCHEMBL21352153 0.80 CHRNA7 (0.33) CHRNA7TP53THRBMAPTKMT2A
SCHEMBL20158114 0.79 CHRNA7 (0.37) CHRNA7TP53MAPTKMT2AMEN1
SCHEMBL21550106 0.78 NPC1 (0.35) LMNAGAAALDH1A1
SCHEMBL20157953 0.77 RXRA (0.36) TP53MAPTKMT2ALMNAHTT
SCHEMBL21352190 0.76 CA12 (0.35) CHRNA7TP53MAPTKMT2AMEN1
Sulfuric Acid SCHEMBL21553725 0.76 NPC1 (0.34) LMNAGAAALDH1A1
SCHEMBL21352204 0.76 CHRNA7 (0.36) CHRNA7TP53THRBMAPTKMT2A

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 2 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

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 CHRNA7 2181/4885TP53 197/4885THRB 2103/4885

“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.