SCHEMBL6526779

SCHEMBL6526779

COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H](C(=O)O)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.64
ADAM17 P78536 4/20 0.64
ALDH1A1 P00352 5/20 0.59
KMT2A Q03164 2/20 0.59
MMP2 P08253 5/20 0.54
ANPEP P15144 1/20 0.54
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6523181 1.00 MMP1 (0.64) MMP1ADAM17ALDH1A1KMT2AMMP2
SCHEMBL8216398 1.00 MMP1 (0.64) MMP1ADAM17ALDH1A1KMT2AMMP2
SCHEMBL7216567 0.89 MMP1 (0.80) MMP1ADAM17MMP2PKM
SCHEMBL2771228 0.83 ALDH1A1 (0.72) MMP1ADAM17ALDH1A1KMT2AMMP2
SCHEMBL5702221 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMMP2TSHRMAPK1
SCHEMBL4669530 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMMP2TSHRMAPK1
SCHEMBL5702094 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMMP2TSHRMAPK1
SCHEMBL5885924 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AMMP2ANPEPTSHR
SCHEMBL5885922 0.80 ALDH1A1 (0.70) ALDH1A1KMT2AMMP2ANPEPTSHR
SCHEMBL8221090 0.79 MMP1 (0.51) MMP1ADAM17ALDH1A1PKMHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 US 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-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL MMP1 1917/4885ADAM17 3140/4885ALDH1A1 721/4885

“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.