SCHEMBL20157579

SCHEMBL20157579

CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
CHRNA7 P36544 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
KMT2A Q03164 1/20 0.36
CCR9 P51686 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
METAP2 P50579 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL20157851 0.90 THRB (0.38) TP53THRBLMNAALDH1A1GAA
SCHEMBL20157557 0.88 PTPN1 (0.39) TP53THRBLMNAALDH1A1GAA
SCHEMBL20157342 0.88 SRD5A2 (0.43) LMNAALDH1A1GAAMAPTHTT
SCHEMBL20157815 0.87 KMT2A (0.40) LMNAALDH1A1GAAMAPTKMT2A
SCHEMBL20157569 0.86 CES2 (0.41) GAAHTTKMT2ACES2CES1
SCHEMBL20157552 0.86 LMNA (0.38) TP53THRBLMNAALDH1A1GAA
SCHEMBL21351905 0.85 CA2 (0.41) THRBLMNAMAPTHTTSMN1; SMN2
SCHEMBL20157516 0.85 ALDH1A1 (0.48) TP53THRBLMNAALDH1A1GAA
SCHEMBL20157411 0.85 NPC1 (0.48) TP53THRBLMNAGAAMAPT
SCHEMBL21362261 0.85 KCNJ6 (0.37) TP53THRBLMNAMAPTHTT

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 5 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
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 TP53 197/4885THRB 2103/4885LMNA 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.