SCHEMBL5956740

SCHEMBL5956740

COC(=O)c1ccc2c(c1SC)OCCC2N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 8/20 0.35
HSD17B10 Q99714 5/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
PTGER4 P35408 1/20 0.33
HPGD P15428 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
CFTR P13569 2/20 0.32
ABL1 P00519 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5956890 1.00 TSHR (0.36) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL5956896 0.86 TSHR (0.37) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL5956540 0.86 TSHR (0.37) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL5956845 0.78 GAA (0.36) TSHRGAA
SCHEMBL5956757 0.78 GAA (0.36) TSHRGAA
SCHEMBL7994484 0.73 TSHR (0.39) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL5956510 0.72 ALDH1A1 (0.47) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL5956735 0.72 ALDH1A1 (0.47) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL7994063 0.72 LTB4R (0.37) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL27504227 0.71 MAP3K14 (0.36) TSHRKDM4EALDH1A1HSD17B10LMNA

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.