SCHEMBL13061945

SCHEMBL13061945

CCOC(=O)CSCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.39
TRPA1 O75762 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METAP2 P50579 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
METAP1 P53582 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL20841661 0.83 MGAM (0.52) MGAMGAASIMGAM2CYP1A2
SCHEMBL7527314 0.81 MGAM (0.50) MGAMGAASIMGAM2CYP1A2
SCHEMBL22710170 0.79 GAA (0.48) MGAMGAASIMGAM2CYP1A2
SCHEMBL8544332 0.79 GAA (0.57) MGAMGAASIMGAM2CYP1A2
SCHEMBL7232830 0.78 MGAM (0.46) MGAMGAASIMGAM2CYP1A2
SCHEMBL9509219 0.78 TSHR (0.51) MGAMGAASIMGAM2CYP1A2
SCHEMBL11852906 0.76 GAA (0.44) MGAMGAASIMGAM2CYP1A2
SCHEMBL28105439 0.76 MGAM (0.44) MGAMGAASIMGAM2CYP1A2
SCHEMBL1710113 0.76 CES1 (0.50) MGAMGAASIMGAM2CYP1A2
SCHEMBL11199655 0.76 CYP1A2 (0.50) MGAMGAASIMGAM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
US-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors JEAN FRANCOIS 2010-07-01 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 (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-20100168225-A1 Small-Molecule Hepatitis C Virus (HCV) NS3/4A Serine Protease Inhibitors SRR, HAVCR2, CBR3 MGAM 3844/4885GAA 2230/4885SI 608/4885
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F MGAM 3326/4885GAA 3237/4885SI 2866/4885

“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.