SCHEMBL6652035

SCHEMBL6652035

CCC(=O)Oc1c(NC(=O)OC(C)(C)C)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.42
LIPE Q05469 7/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
P2RX7 Q99572 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.32
METAP1 P53582 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL28910668 0.89 AAK1 (0.40) AAK1LIPEPRMT5WDR77RXFP1
SCHEMBL24497673 0.85 AAK1 (0.41) AAK1LIPEPRMT5WDR77RXFP1
SCHEMBL30695853 0.83 AAK1 (0.39) AAK1LIPEPRMT5WDR77RXFP1
SCHEMBL15019749 0.82 NPC1 (0.47) POLBKMT2A
SCHEMBL14560 0.81 LIPE (0.48) AAK1LIPEPRMT5WDR77RXFP1
SCHEMBL3712015 0.81 AAK1 (0.42) AAK1LIPEPRMT5WDR77RXFP1
SCHEMBL16263673 0.80 AAK1 (0.41) AAK1LIPEPRMT5WDR77RXFP1
SCHEMBL29984550 0.80 AAK1 (0.41) AAK1LIPEPRMT5WDR77RXFP1
SCHEMBL17459641 0.79 NPC1 (0.38) LIPERXFP1LMNAKMT2A
SCHEMBL28701124 0.79 USP30 (0.38) AAK1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315746-B Tryptophan hydroxylase inhibitors and pharmaceutical compositions comprising the same 光州科学技术院 2022-11-29 CN disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 CN disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 EP disclosed
US-9839664-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-12-12 US disclosed
US-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-08-03 US disclosed
EP-3172199-A1 NOVEL GLP-1 RECEPTOR MODULATORS Receptos, Inc. (US) 2017-05-31 EP disclosed
US-9474755-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SARL (CH) 2016-10-25 US disclosed
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-02-11 US disclosed
WO-2016015014-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2016-01-28 WO disclosed
EP-1454898-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-09-08 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 (2 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-20170216392-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R AAK1 1271/4885LIPE 454/4885PRMT5 1330/4885
US-20160038487-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R AAK1 1271/4885LIPE 454/4885PRMT5 1330/4885

“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.