SCHEMBL9943585

SCHEMBL9943585

CC(=O)OCC(=O)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 2/20 0.52
PTPN1 P18031 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 2/20 0.50
HTR7 P34969 1/20 0.50
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
PLOD2 O00469 1/20 0.46

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
SCHEMBL3039637 0.82 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL4549475 0.82 RAB9A (0.64) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL4775788 0.82 ALDH1A1 (0.64) ALDH1A1NPC1PTPN1RAB9AKDM4E
SCHEMBL2749745 0.81 NPC1 (0.58) NPC1PTPN1RAB9AKDM4EHTR7
SCHEMBL8591582 0.81 NPC1 (0.52) ALDH1A1NPC1PTPN1RAB9AKDM4E
SCHEMBL12950826 0.81 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL1155564 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL19426876 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL6989723 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL3041661 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AKDM4ELMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020038460-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR 南京药捷安康生物科技有限公司 2020-02-27 WO disclosed
EP-2465847-B1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2016-10-12 EP disclosed
EP-2465847-B1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2016-10-12 EP disclosed
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-8623855-B2 Azetidinone compounds and medical use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-01-07 US disclosed
US-8623855-B2 Azetidinone compounds and medical use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-01-07 US disclosed
US-20120208994-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2012-08-16 US disclosed
US-20120208994-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2012-08-16 US disclosed
EP-2465847-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2012-06-20 EP disclosed
EP-2465847-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2012-06-20 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-20120208994-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF CYP46A1, APOB, CETP ALDH1A1 878/4885NPC1 12/4885PTPN1 1989/4885

“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.