SCHEMBL5956682

SCHEMBL5956682

O=C(N[C@H]1CCS(=O)(=O)c2cc(C(=O)O)ccc21)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.43
NAAA Q02083 2/20 0.41
EPHX1 P07099 1/20 0.41
TBXA2R P21731 1/20 0.40
CTSK P43235 2/20 0.40
CPB1 P15086 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
DPP4 P27487 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 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
SCHEMBL5956651 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL5956707 1.00 ALDH1A1 (0.45) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL5956900 0.94 ALDH1A1 (0.43) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL5956683 0.92 ALDH1A1 (0.43) ALDH1A1GAATSHRNAAACTSK
SCHEMBL5956644 0.92 ALDH1A1 (0.43) ALDH1A1GAATSHRNAAACTSK
SCHEMBL5956600 0.92 ALDH1A1 (0.43) ALDH1A1GAATSHRNAAACTSK
SCHEMBL5956937 0.86 CTSK (0.42) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL5956907 0.85 EPHX1 (0.44) ALDH1A1GAATSHRNAAAEPHX1
SCHEMBL5956550 0.85 ROCK2 (0.50) ALDH1A1
SCHEMBL5956664 0.85 ROCK2 (0.50) ALDH1A1

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.