SCHEMBL2854201

SCHEMBL2854201

N[C@@H](CCCCN1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1)C(=O)N1CCSC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
TLR7 Q9NYK1 2/20 0.45
DPP4 P27487 6/20 0.44
DPP7 Q9UHL4 5/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
AKT1 P31749 2/20 0.42
AKT2 P31751 2/20 0.42
AKT3 Q9Y243 2/20 0.42
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL2854203 1.00 DRD2 (0.46) DRD2DRD3TLR7DPP4DPP7
Hydrochloric Acid SCHEMBL2850456 0.84 DRD2 (0.56) DRD2DRD3DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL2850459 0.84 DRD2 (0.56) DRD2DRD3DPP4DPP7DPP8
SCHEMBL2855721 0.84 AKT1 (0.55) DRD2DRD3DPP4DPP7DPP8
SCHEMBL2855713 0.84 AKT1 (0.55) DRD2DRD3DPP4DPP7DPP8
SCHEMBL2860495 0.81 HTR1A (0.53) DRD2
SCHEMBL2860498 0.81 HTR1A (0.53) DRD2
SCHEMBL2859526 0.80 DPP4 (0.50) DRD2DPP4DPP7DPP8DPP9
SCHEMBL2859518 0.80 DPP4 (0.50) DRD2DPP4DPP7DPP8DPP9
SCHEMBL2882386 0.80 DPP4 (0.52) DRD2DRD3DPP4DPP7DPP8

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 DRD2 1418/4885DRD3 1265/4885TLR7 897/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 DRD2 1311/4885DRD3 957/4885TLR7 1165/4885

“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.