SCHEMBL18280481

SCHEMBL18280481

CC(C)(C)OC(=O)c1ccccc1-c1ccc(F)c(CBr)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 1/20 0.41
ACHE P22303 1/20 0.39
BDKRB1 P46663 4/20 0.39
APP P05067 1/20 0.37
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
ACMSD Q8TDX5 1/20 0.36
PTPN11 Q06124 1/20 0.36
ROCK2 O75116 1/20 0.36
CSF1R P07333 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL489579 0.90 BDKRB1 (0.45) SLC6A3SLC6A4SLC6A2BDKRB1
SCHEMBL13989094 0.84 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2ACHEBDKRB1
SCHEMBL6900070 0.84 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2ACHEBDKRB1
SCHEMBL18280624 0.82 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2ACHEBDKRB1
SCHEMBL489515 0.80 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2BDKRB1ALOX5AP
SCHEMBL283 0.79 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2ACHEBDKRB1
SCHEMBL10433539 0.79 KCNA5 (0.47) SLC6A3SLC6A4ACHESCN1ASCN2A
SCHEMBL18280658 0.79 CYP4F2 (0.45) SLC6A3SLC6A4SLC6A2ACHESCN1A
SCHEMBL18280518 0.79 KCNA5 (0.41) SLC6A3SLC6A4SLC6A2ACHESCN1A
SCHEMBL3459261 0.77 CYP4F2 (0.36) SLC6A3SLC6A4ACHEAPP

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
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
EP-3121167-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT Hyundai Pharm Co., Ltd. (KR) 2017-01-25 EP disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US disclosed
US-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT HYUNDAI PHARM CO., LTD. (KR) 2016-12-08 US 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-20160355483-A1 COMPOUND BINDING TO PPARG BUT NOT ACTING AS PROMOTER AND PHARMACEUTICAL COMPOSITION FOR TREATING PPARG-RELATED DISEASES CONTAINING SAME AS ACTIVE INGREDIENT PPARG, CDK5, CDK5R1 SLC6A3 4653/4885SLC6A4 4563/4885SLC6A2 4848/4885

“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.