SCHEMBL2685137

SCHEMBL2685137

O=S(=O)(c1ccccc1C(F)(F)F)[C@H]1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SFRP1 Q8N474 3/20 0.47
▸ WNT3 P56703 1/20 0.47
▸ SLC6A2 P23975 6/20 0.47
▸ SLC6A4 P31645 6/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ HTR2C P28335 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTSS P25774 8/20 0.44

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
SCHEMBL2685141 1.00 SFRP1 (0.47) SFRP1WNT3SLC6A2SLC6A4SLC6A3
SCHEMBL8483131 0.91 HTR2C (0.51) SFRP1WNT3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL70687 0.90 HTR2C (0.53) SFRP1WNT3SLC6A2SLC6A4SLC6A3
SCHEMBL28166430 0.80 MEN1 (0.51) MEN1KMT2ACTSS
SCHEMBL2683108 0.77 ALDH1A1 (0.46) CTSS
SCHEMBL2683110 0.77 ALDH1A1 (0.46) CTSS
SCHEMBL15338537 0.77 ALDH1A1 (0.46) CTSS
SCHEMBL18343834 0.77 APLNR (0.40) —
SCHEMBL29529651 0.77 HTR2C (0.49) SFRP1WNT3SLC6A2SLC6A4SLC6A3
SCHEMBL3118862 0.76 MEN1 (0.47) MEN1KMT2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635562-B1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2014-09-03 — — EP disclosed
CN-103201274-B Pyrrolidine derivatives used as cathepsin inhibitors HOFFMANN LA ROCHE 2014-08-20 — — CN disclosed
EP-2635562-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-11 — — EP disclosed
US-8524710-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-09-03 — — US disclosed
CN-103201274-A Pyrrolidine derivatives used as cathepsin inhibitors HOFFMANN LA ROCHE 2013-07-10 — — CN disclosed
WO-2012059507-A1 PYRROLIDINE DERIVATIVES USED AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-10 — — WO disclosed
US-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-05-10 — — 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-20120115843-A1 NOVEL PYRROLIDINE DERIVATIVES CTSD, CTSV, CTSS SFRP1 4430/4885WNT3 4747/4885SLC6A2 4019/4885

“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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