SCHEMBL2140994

SCHEMBL2140994

CCOOB(O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
CA2 P00918 1/20 0.46
ORAI1 Q96D31 1/20 0.46
ORAI2 Q96SN7 1/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
TRPV6 Q9H1D0 1/20 0.46
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.31
DHODH Q02127 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL264493 0.82 PCSK9 (0.42) CA2ORAI1ORAI2ORAI3TRPV6
SCHEMBL5953336 0.79 LPL (0.50) LPLLIPGCA2ORAI1ORAI2
SCHEMBL5586183 0.73 ORAI1 (0.67) LPLLIPGCA2ORAI1ORAI2
SCHEMBL18587306 0.73 NPC1 (0.42) LPLLIPGCA2TDP1SMN1; SMN2
SCHEMBL14282970 0.72 CA2 (0.56) LPLLIPGCA2ORAI1ORAI2
SCHEMBL27965000 0.70 CA2 (0.54) LPLLIPGCA2ORAI1ORAI2
SCHEMBL3918805 0.70 CA2 (0.54) LPLLIPGCA2ORAI1ORAI2
SCHEMBL2320469 0.70 CA2 (0.54) LPLLIPGCA2ORAI1ORAI2
SCHEMBL3984743 0.69 ACHE (0.38) LPLLIPGACHETDP1SMN1; SMN2
SCHEMBL3980124 0.69 ENPP2 (0.34) LIPGORAI1ORAI2ORAI3KMT2A

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-8148407-B2 Compounds derived from 5-thioxylose and their use in therapeutics LABORATORIES FOURNIER S.A. (FR) 2012-04-03 US disclosed
US-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics INVENTIVA (FR) 2008-11-27 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-20080293768-A1 Novel Compounds Derived From 5-Thioxylose And Their Use In Therapeutics TPMT, STS, TBXAS1 LPL 743/4885LIPG 60/4885CA2 4443/4885

“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.