SCHEMBL6518007

SCHEMBL6518007

COC[C@H]1C[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ MMP1 P03956 2/20 0.44
▸ ADAM17 P78536 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 2/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP9 P55211 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL8224388 1.00 ALDH1A1 (0.48) ALDH1A1POLBRAB9APAX8MMP1
SCHEMBL6522988 1.00 ALDH1A1 (0.48) ALDH1A1POLBRAB9APAX8MMP1
SCHEMBL8219313 0.87 POLB (0.49) ALDH1A1POLBRAB9APAX8KMT2A
SCHEMBL6518443 0.87 POLB (0.49) ALDH1A1POLBRAB9APAX8KMT2A
SCHEMBL6523714 0.87 POLB (0.49) ALDH1A1POLBRAB9APAX8KMT2A
SCHEMBL15013036 0.79 CASP3 (0.64) RAB9APAX8CASP3CASP7CASP9
SCHEMBL12169307 0.79 CASP3 (0.64) RAB9APAX8CASP3CASP7CASP9
SCHEMBL15013035 0.79 CASP3 (0.64) RAB9APAX8CASP3CASP7CASP9
SCHEMBL12085003 0.78 EPHX2 (0.56) ALDH1A1POLBRAB9APAX8KMT2A
SCHEMBL12084999 0.78 EPHX2 (0.56) ALDH1A1POLBRAB9APAX8KMT2A

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 10 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 claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 — — EP claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 — — WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 — — US claimed
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 ALDH1A1 721/4885POLB 4833/4885RAB9A 3818/4885

“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.

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