SCHEMBL20135268

SCHEMBL20135268

Cc1cnc(N[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
P2RX3 P56373 1/20 0.36
SSTR4 P31391 6/20 0.36
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
SSTR1 P30872 1/20 0.34
HTRA1 Q92743 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PIK3CD O00329 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
SCHEMBL29688847 1.00 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL29688474 0.91 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20134913 0.91 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20135082 0.91 CYP1A2 (0.42) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20135173 0.87 SSTR4 (0.43) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20135052 0.87 SSTR4 (0.43) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20135494 0.85 CYP1A2 (0.38) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20135012 0.84 SRC (0.41) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20135558 0.83 CYP1A2 (0.39) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL20791716 0.81 CYP1A2 (0.36) CYP1A2POLBCYP3A4CYP2C19LMNA

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 CYP1A2 491/4885POLB 1991/4885CYP3A4 1096/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CYP1A2 409/4885POLB 1970/4885CYP3A4 811/4885

“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.