SCHEMBL21352001

SCHEMBL21352001

CCS(=O)(=O)C(C)N(c1cc(Br)c(C(=O)c2ccc(Cl)cc2)cc1F)[SH](=O)=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KCNH2 Q12809 2/20 0.32
SLC10A6 Q3KNW5 1/20 0.32
SLC6A9 P48067 1/20 0.31
IDO1 P14902 1/20 0.31
DHODH Q02127 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
SCHEMBL21352153 0.92 CHRNA7 (0.33) KMT2ALMNATP53MAPTHTT
SCHEMBL21352131 0.90 CNR2 (0.35) CNR2KMT2ALMNATP53MAPT
SCHEMBL21352002 0.80 KMT2A (0.34) CNR2KMT2ALMNATP53MAPT
SCHEMBL21550105 0.77 NPC1 (0.35) KMT2ALMNAPSEN1PSEN2APH1B
Sulfuric Acid SCHEMBL21553724 0.74 NPC1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20157971 0.73 NPC1 (0.44) KMT2ALMNATP53MAPTHTT
SCHEMBL21352154 0.72 CHRNA7 (0.32) KMT2ALMNATP53MAPTHTT
SCHEMBL20158114 0.70 CHRNA7 (0.37) KMT2ALMNATP53MAPTHTT
SCHEMBL21352132 0.69 KMT2A (0.37) KMT2ALMNAMAPTHTTRAB9A
SCHEMBL20157953 0.67 RXRA (0.36) KMT2ALMNATP53MAPTHTT

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 CNR2 503/4885KMT2A 1082/4885LMNA 2333/4885

“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.