SCHEMBL2855862

SCHEMBL2855862

COc1cc(OC)c2nc(C(F)(F)F)cc(N3CCN(CCCC[C@H](N)C(=O)N4CCSC4)CC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 5/20 0.38
DPP4 P27487 5/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
DRD2 P14416 10/20 0.38
DRD3 P35462 10/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MAPK1 P28482 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL2855868 1.00 DPP7 (0.38) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2878467 0.90 DRD3 (0.43) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2878470 0.90 DRD3 (0.43) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2857416 0.88 DRD2 (0.44) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2857421 0.88 DRD2 (0.44) DPP7DPP4DPP8DPP9DRD2
Hydrochloric Acid SCHEMBL2850456 0.80 DRD2 (0.56) DPP7DPP4DPP8DPP9DRD2
Hydrochloric Acid SCHEMBL2850459 0.80 DRD2 (0.56) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2854005 0.79 DRD2 (0.45) DPP7DPP4DPP8DPP9DRD2
SCHEMBL2854011 0.79 DRD2 (0.45) DPP7DPP4DPP8DPP9DRD2
SCHEMBL8295836 0.73 DPP4 (0.68) DPP4DPP8DPP9

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 DPP7 2/4885DPP4 1/4885DPP8 5/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 DPP7 2/4885DPP4 1/4885DPP8 5/4885

“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.