SCHEMBL1807897

SCHEMBL1807897

O=C1CCc2cc(CC(O)=S)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.50
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HSD17B1 P14061 3/20 0.46
GRM5 P41594 1/20 0.44
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
PRKCI P41743 1/20 0.41
ACACB O00763 1/20 0.40
PBRM1 Q86U86 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL1810289 0.87 PBRM1 (0.51) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL4808780 0.85 AKR1B1 (0.68) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL1807895 0.80 AKR1B1 (0.50) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL28770218 0.80 CASP1 (0.51) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL4817434 0.79 CASP1 (0.50) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL4805957 0.79 CASP1 (0.53) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL23162895 0.77 AKR1B1 (0.61) AKR1B1HSD17B1MAOBMAOAPRKCI
SCHEMBL86398 0.77 CASP1 (0.47) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL14678411 0.76 ALDH1A1 (0.48) AKR1B1CASP1CASP7HSD17B10HSD17B1
SCHEMBL7844764 0.76 AKR1B1 (0.50) AKR1B1CASP1CASP7HSD17B10HSD17B1

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
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 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 (1 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 AKR1B1 2382/4885CASP1 159/4885CASP7 756/4885

“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.