SCHEMBL2850239

SCHEMBL2850239

N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1)C(=O)N1CCSC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.53
DPP7 Q9UHL4 7/20 0.53
DPP8 Q6V1X1 4/20 0.53
DPP9 Q86TI2 4/20 0.53
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2850241 1.00 DPP4 (0.53) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2847975 0.85 DPP4 (0.65) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2847977 0.85 DPP4 (0.65) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2854616 0.84 DPP4 (0.53) DPP4DPP7DPP8DPP9
SCHEMBL2367718 0.84 DPP4 (0.60) DPP4DPP7DPP8DPP9
SCHEMBL2862010 0.82 RECQL (0.48) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2862017 0.82 RECQL (0.48) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL2852679 0.82 DPP4 (0.60) DPP4DPP7DPP8DPP9
SCHEMBL2852676 0.82 DPP4 (0.60) DPP4DPP7DPP8DPP9
SCHEMBL2854242 0.82 DPP4 (0.58) DPP4DPP7DPP8DPP9

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 4 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
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 DPP4 1/4885DPP7 2/4885DPP8 5/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 DPP4 1/4885DPP7 2/4885DPP8 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.