SCHEMBL20135376

SCHEMBL20135376

CCOC(=O)c1ccc(C(C)CC(=O)OCC#N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
SLC2A1 P11166 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL20135554 0.81 CA12 (0.41) POLBPKMSLC2A1CA12CA1
SCHEMBL20134921 0.80 POLB (0.44) POLBPKMSLC2A1CA12CA1
SCHEMBL28859557 0.78 CA12 (0.38) POLBPKMSLC2A1CA12CA1
SCHEMBL1118038 0.78 CA12 (0.50) POLBPKMSLC2A1CA12CA1
SCHEMBL28859561 0.76 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL22912531 0.74 CA12 (0.46) POLBPKMSLC2A1CA12CA1
SCHEMBL20135379 0.74 P2RY12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL3376117 0.74 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL20075663 0.74 CA12 (0.49) POLBPKMSLC2A1CA12CA1
SCHEMBL20791702 0.73 MAPT (0.38) POLBPKMSLC2A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 1991/4885PKM 3824/4885SLC2A1 3134/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 POLB 1970/4885PKM 3453/4885SLC2A1 2819/4885

“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.