SCHEMBL2857451

SCHEMBL2857451

COc1ccc2nc(C3CCN(CCCCC(N)C(=O)N4CCSC4)CC3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
TP53 P04637 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
DPP7 Q9UHL4 4/20 0.41
DPP4 P27487 4/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2857447 1.00 DRD2 (0.44) DRD2DRD3DRD4UBE2MDCUN1D1
SCHEMBL2849768 0.94 UBE2M (0.43) DRD2DRD3DRD4UBE2MDCUN1D1
SCHEMBL2849763 0.94 UBE2M (0.43) DRD2DRD3DRD4UBE2MDCUN1D1
SCHEMBL2856724 0.88 DPP7 (0.43) UBE2MDCUN1D1TP53DPP7DPP4
SCHEMBL2856727 0.88 DPP7 (0.43) UBE2MDCUN1D1TP53DPP7DPP4
SCHEMBL2854236 0.86 SMN1; SMN2 (0.51) DRD2UBE2MDCUN1D1TP53CYP1A2
SCHEMBL2854239 0.86 SMN1; SMN2 (0.51) DRD2UBE2MDCUN1D1TP53CYP1A2
SCHEMBL2857698 0.86 DPP4 (0.45) DPP7DPP4DPP8DPP9ALDH1A1
SCHEMBL2857690 0.86 DPP4 (0.45) DPP7DPP4DPP8DPP9ALDH1A1
SCHEMBL5375557 0.86 MAPT (0.51) DRD2DRD3TP53CYP1A2CYP2D6

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 DRD2 1418/4885DRD3 1265/4885DRD4 519/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 DRD2 1311/4885DRD3 957/4885DRD4 521/4885

“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.