SCHEMBL20157553

SCHEMBL20157553

CC(C)SCc1ccc(C(=O)c2ccc(F)cc2)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
EPHX1 P07099 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
S1PR1 P21453 1/20 0.34
GAA P10253 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PTPN1 P18031 1/20 0.33
CHRNA7 P36544 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 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
SCHEMBL20157757 0.85 LMNA (0.50) LMNAALDH1A1CES2CES1S1PR1
SCHEMBL20157580 0.83 LMNA (0.37) LMNAALDH1A1CES2CES1S1PR1
SCHEMBL20157516 0.81 ALDH1A1 (0.48) LMNAALDH1A1CES2CES1GAA
SCHEMBL21362558 0.81 DPP4 (0.40) POLBLMNAALDH1A1CES2CES1
SCHEMBL20157552 0.80 LMNA (0.38) LMNAALDH1A1CES2CES1S1PR1
SCHEMBL21362417 0.80 CHRNA7 (0.38) LMNAALDH1A1CES2CES1S1PR1
SCHEMBL20157560 0.79 PTPN1 (0.43) LMNAALDH1A1CES2CES1S1PR1
SCHEMBL20157523 0.77 CES2 (0.39) LMNAALDH1A1CES2CES1S1PR1
SCHEMBL21362538 0.76 SRD5A2 (0.39) POLBLMNAALDH1A1CES2CES1
SCHEMBL20157557 0.76 PTPN1 (0.39) LMNAALDH1A1CES2CES1S1PR1

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 POLB 1116/4885EPHX1 4600/4885LMNA 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.