SCHEMBL6417418

SCHEMBL6417418

Cc1ccc(S(=O)(=O)O)c(C[C@H]2CC[C@H](CO)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
EPHX2 P34913 4/20 0.32
MPL P40238 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SGK1 O00141 1/20 0.31
MAP1LC3B Q9GZQ8 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
SCHEMBL9485617 0.89 PIK3CG (0.32) EPHX2MPLCYP2D6MEN1KMT2A
SCHEMBL20573229 0.88 EPHX2 (0.38) EPHX2MPLCYP2D6MEN1KMT2A
SCHEMBL3389669 0.88 EPHX2 (0.40) EPHX2MEN1KMT2AGAALMNA
SCHEMBL5802385 0.87 EPHX2 (0.42) EPHX2MEN1KMT2AGAAHTT
SCHEMBL23387579 0.86 MRGPRX1 (0.33) EPHX2MPLCYP2D6MEN1KMT2A
SCHEMBL8945001 0.86 CYP2C9 (0.35) EPHX2MPLCYP2D6MEN1KMT2A
SCHEMBL7526268 0.86 CYP2C9 (0.35) EPHX2MPLCYP2D6MEN1KMT2A
SCHEMBL20300565 0.85 LMNA (0.33) EPHX2MPLCYP2D6MEN1KMT2A
SCHEMBL25434904 0.85 TSHR (0.34) AKR1C3EPHX2MEN1KMT2AALDH1A1
SCHEMBL963562 0.84 NPC1 (0.42) EPHX2ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050033044-A1 Methods for preparing 2-alkynyladenosine derivatives BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-02-10 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-20050033044-A1 Methods for preparing 2-alkynyladenosine derivatives ADORA2A, ADORA3, ADORA1 AKR1C3 171/4885EPHX2 350/4885MPL 4590/4885

“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.