SCHEMBL3067553

SCHEMBL3067553

O=C(c1ccccc1)N1CCC[C@@]1(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
CYP2D6 P10635 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RORC P51449 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 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
SCHEMBL8498339 0.79 MMP9 (0.48) CA12CA1CA2CA7CA9
SCHEMBL3071396 0.76 HTT (0.46) CYP2D6RORC
SCHEMBL10885174 0.74 DPP7 (0.46)
SCHEMBL15665034 0.72 MAPK1 (0.51) HPGDNPSR1GAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL14882313 0.71 HPGD (0.49) HPGDNPSR1ALDH1A1MAPK1L3MBTL1
SCHEMBL2105715 0.69 APP (0.40) LMNAGAACYP2D6ALDH1A1L3MBTL1
SCHEMBL5702168 0.69 CYP2D6 (0.43) LMNAGAAMCOLN3CYP2D6ALDH1A1
SCHEMBL15664601 0.69 NPSR1 (0.54) HPGDNPSR1ALDH1A1MAPK1L3MBTL1
SCHEMBL5701856 0.69 CYP2D6 (0.43) LMNAGAAMCOLN3CYP2D6ALDH1A1
SCHEMBL10982679 0.68 HPGD (0.58) HPGDLMNANPSR1ALDH1A1MAPK1

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-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US claimed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 HPGD 346/4885LMNA 3920/4885NPSR1 13/4885

“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.