SCHEMBL20135592

SCHEMBL20135592

COc1cc(C#N)c(C)cc1C1(C(C)C)NC(=O)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.34
IDH1 O75874 1/20 0.33
AR P10275 2/20 0.32
AKR1B1 P15121 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MMP17 Q9ULZ9 1/20 0.31
ADAM17 P78536 2/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
BCAT1 P54687 2/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL20135280 0.78 LCK (0.35) MMP2ADAM17ADAMTS5
SCHEMBL20135013 0.70 ADAMTS5 (0.35) AKR1B1ADAM17ADAMTS5
SCHEMBL20135032 0.69 CA12 (0.47)
SCHEMBL10541124 0.67 AR (0.47) AR
SCHEMBL15973908 0.65 LMNA (0.46) AKR1B1MMP2MMP3MMP8MMP14
SCHEMBL20135169 0.63 KDM4E (0.35) ADAM17ADAMTS5
SCHEMBL14036532 0.62 POLB (0.54) AR
SCHEMBL13387367 0.62 ALDH1A1 (0.46) AR
SCHEMBL20134874 0.62 LMNA (0.56) ARADAM17CHEK1
SCHEMBL14993875 0.61 ALDH1A1 (0.50) AR

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 ESRRA 3911/4885IDH1 2690/4885AR 4711/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 ESRRA 3704/4885IDH1 2360/4885AR 4710/4885

“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.