SCHEMBL13809488

SCHEMBL13809488

O=COc1ccc(COc2cccc(CCS)c2C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.73
PTGER1 P34995 4/20 0.41
PTGER4 P35408 4/20 0.41
PTGER3 P43115 4/20 0.41
PTGER2 P43116 4/20 0.41
ABCB1 P08183 1/20 0.38
PPARA Q07869 2/20 0.38
RXRA P19793 3/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4378777 0.86 FOLH1 (0.77) FOLH1PTGER1ABCB1PPARARXRA
SCHEMBL4379752 0.85 FOLH1 (1.00) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL2058308 0.84 FOLH1 (1.00) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4377997 0.83 FOLH1 (0.81) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4379587 0.83 FOLH1 (0.81) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4373970 0.83 FOLH1 (0.81) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4380763 0.80 FOLH1 (0.75) FOLH1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4377625 0.77 FOLH1 (1.00) FOLH1HPGD
SCHEMBL4368704 0.76 FOLH1 (0.77) FOLH1PTGER1
SCHEMBL4369851 0.76 FOLH1 (0.77) FOLH1RXRARXRBRXRGHPGD

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-7553866-B2 3-(2-Oxo-tetrahydrothiopyran-3-yl)propionic acid; inhibiting the prostrate specific antigen;angiogenesis inhibition; compulsive disorder, neuropathy, analgesics, anticarcinogenic agents; Huntinton's disease; antidiabetic agents; retinopathy; gluacoma; effecting transforming growth factor, glutamate EISAI CORPORATION OF NORTH AMERICA (US) 2009-06-30 US disclosed
US-20080004334-A1 3-(2-Oxo-tetrahydrothiopyran-3-yl)propionic acid; inhibiting the prostrate specific antigen;angiogenesis inhibition; compulsive disorder, neuropathy, analgesics, anticarcinogenic agents; Huntinton's disease; antidiabetic agents; retinopathy; gluacoma; effecting transforming growth factor, glutamate EISAI INC. 2008-01-03 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-20080004334-A1 3-(2-Oxo-tetrahydrothiopyran-3-yl)propionic acid; inhibiting the prostrate specific antigen;angiogenesis inhibition; compulsive disorder, neuropathy, analgesics, anticarcinogenic agents; Huntinton's disease; antidiabetic agents; retinopathy; gluacoma; effecting transforming growth factor, glutamate FOLH1, NGF, RIMKLA FOLH1 1/4885PTGER1 265/4885PTGER4 633/4885

“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.