SCHEMBL4553182

SCHEMBL4553182

CN1CC(CC(=O)O)CC1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.67
ITGB1 P05556 2/20 0.38
ITGA5 P08648 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGB2 P05107 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGB5 P18084 1/20 0.38
ITGAL P20701 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A1 P30531 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A11 P48066 1/20 0.33
SLC6A13 Q9NSD5 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
SCHEMBL9789649 0.82 BRD4 (0.59) BRD4MAPTPOLB
SCHEMBL17294311 0.78 BRD4 (0.42) BRD4ITGB1ITGA5ITGB3ITGB2
SCHEMBL1929098 0.78
SCHEMBL11110416 0.77 BRD4 (0.41) BRD4ITGB1ITGA5ITGB3ITGB2
SCHEMBL24630134 0.76 BRD4 (0.61) BRD4
SCHEMBL18821186 0.75
SCHEMBL21964862 0.75
SCHEMBL5709310 0.75
SCHEMBL15850804 0.74
SCHEMBL19357292 0.74

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-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
WO-2009038412-A2 BETA-SECRETASE INHIBITING COMPOUNDS LG LIFE SCIENCES, LTD. (KR) 2009-03-26 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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA BRD4 608/4885ITGB1 1491/4885ITGA5 2201/4885

“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.