SCHEMBL5956896

SCHEMBL5956896

COC(=O)c1ccc2c(c1SC)OCC[C@H]2O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
KDM4E B2RXH2 8/20 0.35
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAP3K14 Q99558 2/20 0.34
HSD17B10 Q99714 4/20 0.33
HPGD P15428 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2B Q14289 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL5956540 1.00 TSHR (0.37) TSHRKDM4EALDH1A1SMN1; SMN2MAP3K14
SCHEMBL5956890 0.86 TSHR (0.36) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL5956740 0.86 TSHR (0.36) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL27504227 0.85 MAP3K14 (0.36) TSHRKDM4EALDH1A1MAP3K14HSD17B10
SCHEMBL7994481 0.82 TSHR (0.38) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19973699 0.81 KDM4E (0.43) TSHRKDM4EALDH1A1SMN1; SMN2MAP3K14
SCHEMBL5956845 0.79 GAA (0.36) TSHR
SCHEMBL5956757 0.79 GAA (0.36) TSHR
SCHEMBL7994484 0.74 TSHR (0.39) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL20916105 0.74 KDM4E (0.33) TSHRKDM4EALDH1A1SMN1; SMN2MAP3K14

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
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 TSHR 1443/4885KDM4E 1686/4885ALDH1A1 2624/4885

“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.