SCHEMBL3071396

SCHEMBL3071396

O=C(C1CCOCC1)N1CCC[C@@]1(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
RORC P51449 1/20 0.42
MMP13 P45452 9/20 0.40
MMP2 P08253 8/20 0.40
MMP9 P14780 3/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 2/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
RIPK1 Q13546 1/20 0.38
CTSS P25774 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL3067553 0.76 HPGD (0.43) RORCCYP2D6
SCHEMBL10885174 0.68 DPP7 (0.46) MMP2MMP9
SCHEMBL1139646 0.67 HTT (0.51) HTTRORCNPC1PKMCYP2C19
SCHEMBL12447717 0.64 NAMPT (0.57) NPC1MAPTRIPK1
SCHEMBL2105715 0.64 APP (0.40) HTTMMP13MMP9CYP2C19CYP2C9
SCHEMBL5702168 0.63 CYP2D6 (0.43) HTTMMP13MMP9CYP2C19MAPT
SCHEMBL5701856 0.63 CYP2D6 (0.43) HTTMMP13MMP9CYP2C19MAPT
SCHEMBL3071391 0.62 CTSS (0.49) HTTCYP2C9RIPK1CTSS
SCHEMBL5701916 0.62 CYP2D6 (0.42) HTTMMP13MMP2MMP9NPC1
SCHEMBL5702210 0.62 CYP2D6 (0.42) HTTMMP13MMP2MMP9NPC1

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 HTT 2701/4885RORC 2221/4885MMP13 2124/4885

“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.