SCHEMBL20135358

SCHEMBL20135358

COc1cc(Br)c(C)cc1C1(C(C)C)NC(=O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
AKR1B1 P15121 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
MMP14 P50281 1/20 0.32
MMP17 Q9ULZ9 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
GSK3B P49841 2/20 0.31
CDK4 P11802 1/20 0.31

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
SCHEMBL29688564 1.00 TSHR (0.33) TSHRBCHECES1AKR1B1MMP2
SCHEMBL20135280 0.81 LCK (0.35) TSHRMMP2MAPTNPSR1ADAM17
SCHEMBL20135013 0.73 ADAMTS5 (0.35) AKR1B1ADAM17ADAMTS5
SCHEMBL15973908 0.67 LMNA (0.46) AKR1B1MMP2MMP3MMP8MMP14
SCHEMBL1505362 0.63 MAPT (0.52) TSHRGAASMN1; SMN2MAPTNPSR1
SCHEMBL31483694 0.62 MAPT (0.50) TSHRSMN1; SMN2MAPTNPSR1
SCHEMBL20836401 0.62 MAPT (0.50) TSHRSMN1; SMN2MAPTNPSR1
SCHEMBL15031974 0.62 MAPT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20134891 0.61 MMP14 (0.40) AKR1B1MMP2MMP8MMP14MMP17
SCHEMBL4232196 0.60 CYP2C9 (0.55) AKR1B1MMP2MMP3GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 TSHR 3522/4885BCHE 3588/4885CES1 1624/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 TSHR 3141/4885BCHE 3598/4885CES1 1736/4885

“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.