SCHEMBL20157769

SCHEMBL20157769

CCS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.38
PYGL P06737 4/20 0.37
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
RAB9A P51151 1/20 0.34
F2R P25116 1/20 0.34
P2RX7 Q99572 2/20 0.34
CISD1 Q9NZ45 1/20 0.34
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 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
SCHEMBL21362178 0.89 NPC1 (0.41) HPGDNPC1PYGLALDH1A1LMNA
SCHEMBL21550331 0.88 CISD1 (0.32) HPGDPYGLSLC6A9F2RCISD1
SCHEMBL21550050 0.88 SMN1; SMN2 (0.42) SLC6A9ALDH1A1RAB9AFLT1FLT4
SCHEMBL20157569 0.88 CES2 (0.41) GAAMAPK13MAPK12MAPK11MAPK14
SCHEMBL20157822 0.86 HPGD (0.38) HPGDNPC1ALDH1A1LMNARAB9A
SCHEMBL21550118 0.86 PYGL (0.41) HPGDNPC1PYGLALDH1A1LMNA
SCHEMBL21564734 0.85 RECQL (0.40) HPGDALDH1A1LMNAKMT2A
SCHEMBL20157579 0.84 TP53 (0.38) ALDH1A1LMNAGAAKMT2A
SCHEMBL21550039 0.83 CCR9 (0.33) ALDH1A1LMNARAB9AFLT1FLT4
SCHEMBL20158025 0.83 NPC1 (0.42) NPC1PYGLRAB9AKMT2A

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 HPGD 1266/4885NPC1 698/4885PYGL 3665/4885

“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.