SCHEMBL20157552

SCHEMBL20157552

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL20157557 0.87 PTPN1 (0.39) LMNAALDH1A1HTTCA12CA9
SCHEMBL20157579 0.86 TP53 (0.38) LMNAALDH1A1HTTCA12CA9
SCHEMBL21351905 0.84 CA2 (0.41) LMNAHTTCA12CA9CA7
SCHEMBL21362261 0.84 KCNJ6 (0.37) LMNAHTTCA12CA9TP53
SCHEMBL21362252 0.82 S1PR1 (0.36) LMNAHTTCA12CA9TP53
SCHEMBL20157516 0.81 ALDH1A1 (0.48) LMNAALDH1A1HTTTP53MAPT
SCHEMBL21362558 0.81 DPP4 (0.40) LMNAALDH1A1MAPTTHRBCES2
SCHEMBL20158130 0.80 EPHX2 (0.37) MAPTKMT2A
SCHEMBL21362417 0.80 CHRNA7 (0.38) LMNAALDH1A1HTTMAPTTHRB
SCHEMBL20157553 0.80 POLB (0.36) LMNAALDH1A1THRBCES2CES1

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 LMNA 2333/4885ALDH1A1 4457/4885HTT 1073/4885

“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.