SCHEMBL5956900

SCHEMBL5956900

O=C(NC1CCCS(=O)(=O)c2cc(C(=O)O)ccc21)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
CTSK P43235 2/20 0.41
NAAA Q02083 2/20 0.40
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
TBXA2R P21731 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CPB1 P15086 1/20 0.39

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
SCHEMBL5956707 0.94 ALDH1A1 (0.45) ALDH1A1GAATSHREPHX1CTSK
SCHEMBL5956651 0.94 ALDH1A1 (0.45) ALDH1A1GAATSHREPHX1CTSK
SCHEMBL5956682 0.94 ALDH1A1 (0.45) ALDH1A1GAATSHREPHX1CTSK
SCHEMBL5956937 0.92 CTSK (0.42) ALDH1A1GAATSHREPHX1CTSK
SCHEMBL5956907 0.90 EPHX1 (0.44) ALDH1A1GAATSHREPHX1CTSK
SCHEMBL5956600 0.86 ALDH1A1 (0.43) ALDH1A1GAATSHRCTSKNAAA
SCHEMBL5956644 0.86 ALDH1A1 (0.43) ALDH1A1GAATSHRCTSKNAAA
SCHEMBL5956683 0.86 ALDH1A1 (0.43) ALDH1A1GAATSHRCTSKNAAA
SCHEMBL5956622 0.86 ROCK2 (0.49) ALDH1A1KMT2A
SCHEMBL5956940 0.83 EPHX1 (0.42) ALDH1A1GAATSHREPHX1CTSK

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 ALDH1A1 2624/4885GAA 1515/4885TSHR 1443/4885

“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.