SCHEMBL2920380

SCHEMBL2920380

CCOC(=O)CC1C[N]CCS1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TRPA1 O75762 1/20 0.33
MIF P14174 1/20 0.32
CYP1A2 P05177 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2916298 0.75 GABRA1 (0.32)
SCHEMBL9163082 0.73 ALDH1A1 (0.34) GAAALDH1A1HSD17B10MEN1HPGD
SCHEMBL2919507 0.73
SCHEMBL2920382 0.71 MAOA (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2911165 0.70
SCHEMBL2910365 0.69 POLB (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2918795 0.68 CYP1A2 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2921126 0.68 MIF (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1377530 0.67 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2917560 0.67 GAA (0.34) MGAMGAASIMGAM2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 MGAM 4454/4885GAA 3552/4885SI 2326/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MGAM 4648/4885GAA 3879/4885SI 927/4885

“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.