SCHEMBL2855713

SCHEMBL2855713

N[C@@H](CCCCN1CCN(c2ncnc3ccccc23)CC1)C(=O)N1CCSC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.55
AKT2 P31751 16/20 0.55
AKT3 Q9Y243 16/20 0.55
AKT1S1 Q96B36 1/20 0.52
DPP7 Q9UHL4 3/20 0.47
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL2855721 1.00 AKT1 (0.55) AKT1AKT2AKT3AKT1S1DPP7
SCHEMBL2863109 0.86 KCNH2 (0.53) AKT1DPP7DPP4DPP8DPP9
SCHEMBL2863113 0.86 KCNH2 (0.53) AKT1DPP7DPP4DPP8DPP9
SCHEMBL2859518 0.86 DPP4 (0.50) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2859526 0.86 DPP4 (0.50) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2854201 0.84 DRD2 (0.46) AKT1AKT2AKT3DPP7DPP4
SCHEMBL2854203 0.84 DRD2 (0.46) AKT1AKT2AKT3DPP7DPP4
SCHEMBL2860498 0.83 HTR1A (0.53) DRD2
SCHEMBL2860495 0.83 HTR1A (0.53) DRD2
SCHEMBL2855963 0.83 DPP4 (0.53) AKT1AKT2AKT3DPP7DPP4

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
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 AKT1 3642/4885AKT2 3179/4885AKT3 2613/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 AKT1 3942/4885AKT2 3538/4885AKT3 3100/4885

“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.