SCHEMBL20607804

SCHEMBL20607804

COC(=O)Cc1ccc(OCc2ccccc2)c(F)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 3/20 0.43
BRD4 O60885 2/20 0.43
FFAR1 O14842 1/20 0.42
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL29183057 0.86 SMPD1 (0.48) MRGPRX4SMPD1HDAC1HDAC8HDAC6
SCHEMBL28085585 0.81 FFAR4 (0.49) MRGPRX4SMPD1HDAC1HDAC8HDAC6
SCHEMBL20607764 0.79 MAPK14 (0.43) MRGPRX4NPC1FFAR1LMNAL3MBTL1
SCHEMBL2988197 0.79 L3MBTL1 (0.56) BRD4HPGDLMNAKDM4EALDH1A1
SCHEMBL31757763 0.79 L3MBTL1 (0.56) BRD4HPGDLMNAKDM4EALDH1A1
SCHEMBL20607776 0.79 MRGPRX4 (0.39) MRGPRX4SMPD1HDAC1HDAC8HDAC6
SCHEMBL20607789 0.77 MRGPRX4 (0.44) MRGPRX4SMPD1HDAC1HDAC8HDAC6
SCHEMBL20607861 0.76 MAPK14 (0.47) MRGPRX4NPC1FFAR1L3MBTL1MAPT
SCHEMBL5446276 0.76 L3MBTL1 (0.53) NPC1SMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL1901206 0.76 S1PR5 (0.55) MRGPRX4SMPD1HDAC1HDAC8HDAC6

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
EP-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 EP disclosed
CN-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 CN disclosed
EP-3423065-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2021-07-21 EP disclosed
CN-109195608-B Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-05-11 CN disclosed
US-10919916-B2 Boron-containing small molecules BILL & MELINDA GATES FOUNDATION (US) 2021-02-16 US disclosed
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BILL & MELINDA GATES FOUNDATION (US) 2020-08-06 US disclosed
US-10611780-B2 Boron-containing small molecules BILL AND MELINDA GATES FOUNDATION (US) 2020-04-07 US disclosed
US-20190077814-A1 BORON-CONTAINING SMALL MOLECULES GATES FOUNDATION 2019-03-14 US disclosed
EP-3423065-A1 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2019-01-09 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 (4 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-20190077814-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD MRGPRX4 709/4885SMPD1 1318/4885HDAC1 1653/4885
US-10919916-B2 Boron-containing small molecules BCL6B, BLVRB, BTD MRGPRX4 709/4885SMPD1 1318/4885HDAC1 1653/4885
US-10611780-B2 Boron-containing small molecules BCL6B, BLVRB, BTD MRGPRX4 709/4885SMPD1 1318/4885HDAC1 1653/4885
US-20200247827-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BLVRB, BTD MRGPRX4 709/4885SMPD1 1318/4885HDAC1 1653/4885

“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.