SCHEMBL18279701

SCHEMBL18279701

O=C(O)[C@@H]1C[C@@H](F)CC[C@H]1c1nn(-c2ccc(F)cn2)cc1-c1ccc(N2CCS(O)(O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.45
GPR119 Q8TDV5 1/20 0.33
SLC6A9 P48067 1/20 0.31

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
SCHEMBL17008212 1.00 CTSK (0.45) CTSKGPR119SLC6A9
SCHEMBL18279702 0.94 CTSK (0.52) CTSKGPR119SLC6A9
SCHEMBL17008214 0.94 CTSK (0.52) CTSKGPR119SLC6A9
SCHEMBL17008292 0.91 CTSK (0.45) CTSKGPR119
SCHEMBL17008286 0.87 CTSK (0.45) CTSKGPR119SLC6A9
SCHEMBL18892313 0.87 CTSK (0.45) CTSKGPR119SLC6A9
SCHEMBL18279699 0.86 CTSK (0.63) CTSK
SCHEMBL18279804 0.86 CTSK (0.63) CTSK
SCHEMBL18892468 0.86 CTSK (0.44) CTSKGPR119SLC6A9
SCHEMBL17008294 0.85 CTSK (0.51) CTSKGPR119SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-9656990-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-23 US disclosed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 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-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885GPR119 3031/4885SLC6A9 3139/4885

“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.