SCHEMBL5956937

SCHEMBL5956937

COC(=O)c1ccc2c(c1)S(=O)(=O)CCCC2NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
CPB1 P15086 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
TP53 P04637 1/20 0.41
EPHX1 P07099 1/20 0.40
NAAA Q02083 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5956644 0.94 ALDH1A1 (0.43) CTSKALDH1A1GAATSHRCYP3A4
SCHEMBL5956600 0.94 ALDH1A1 (0.43) CTSKALDH1A1GAATSHRCYP3A4
SCHEMBL5956683 0.94 ALDH1A1 (0.43) CTSKALDH1A1GAATSHRCYP3A4
SCHEMBL5956900 0.92 ALDH1A1 (0.43) CTSKALDH1A1GAATSHRCPB1
SCHEMBL5956940 0.91 EPHX1 (0.42) CTSKALDH1A1GAATSHRCYP3A4
SCHEMBL5956651 0.86 ALDH1A1 (0.45) CTSKALDH1A1GAATSHRCPB1
SCHEMBL5956707 0.86 ALDH1A1 (0.45) CTSKALDH1A1GAATSHRCPB1
SCHEMBL5956682 0.86 ALDH1A1 (0.45) CTSKALDH1A1GAATSHRCPB1
SCHEMBL5956622 0.84 ROCK2 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL5956699 0.83 KMT2A (0.51) ALDH1A1CA1CA2ACHE

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 CTSK 635/4885ALDH1A1 2624/4885GAA 1515/4885

“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.