SCHEMBL3947818

SCHEMBL3947818

C[C@H]1C[C@H](OS(C)(=O)=O)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ TSHR P16473 1/20 0.32

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
SCHEMBL17842668 1.00 MMP2 (0.36) MMP2ANPEPTSHR
SCHEMBL25319030 1.00 MMP2 (0.36) MMP2ANPEPTSHR
SCHEMBL15203426 1.00 MMP2 (0.36) MMP2ANPEPTSHR
SCHEMBL15758407 0.85 VDR (0.32) MMP2ANPEPTSHR
SCHEMBL16717011 0.83 ALDH1A1 (0.30) —
SCHEMBL20566560 0.83 ALDH1A1 (0.30) —
SCHEMBL20570544 0.83 ALDH1A1 (0.30) —
SCHEMBL16717009 0.83 ALDH1A1 (0.30) —
SCHEMBL16717012 0.83 ALDH1A1 (0.30) —
SCHEMBL21682443 0.81 ATM (0.42) MMP2ANPEP

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
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 — — WO disclosed
WO-2023139084-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 — — WO disclosed
US-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-11-12 — — US disclosed
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 — — US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 — — WO 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 (2 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF MMP2 57/4885ANPEP 129/4885TSHR 1756/4885
US-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 MMP2 1473/4885ANPEP 233/4885TSHR 1571/4885

“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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