SCHEMBL819912

SCHEMBL819912

CCOC(=S)CC(C)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.38
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CYP2D6 P10635 1/20 0.34
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL13513002 0.83 MGAM (0.48) ALDH1A1HSD17B10LMNACA12CA1
SCHEMBL25975236 0.83 MGAM (0.48) ALDH1A1HSD17B10LMNACA12CA1
SCHEMBL8499814 0.78 ALDH1A1 (0.33) ALDH1A1MGAMGAASIMGAM2
SCHEMBL5898816 0.78 TSHR (0.46) ALDH1A1LMNACA12CA1CA2
SCHEMBL3077877 0.73
SCHEMBL2938917 0.72 ALDH1A1 (0.39) ALDH1A1HSD17B10LMNAHPGDCA12
SCHEMBL3076433 0.71
SCHEMBL7382374 0.70
SCHEMBL11063754 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAHPGDCA12
SCHEMBL11068041 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAHPGDCA12

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-8536364-B2 Method for producing sulfur-containing carboxylic acid esters TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-17 US disclosed
EP-2452933-A1 Method for producing sulfur-containing carboxylic acid esters Takasago International Corporation (JP) 2012-05-16 EP disclosed
US-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-11-17 US disclosed
US-4454134-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1984-06-12 US 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-20110282089-A1 METHOD FOR PRODUCING SULFUR-CONTAINING CARBOXYLIC ACID ESTERS CBR3, ALDH18A1, TAS2R3 ALDH1A1 37/4885HSD17B10 104/4885LMNA 4844/4885

“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.