SCHEMBL695742

SCHEMBL695742

Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3)C[C@H]2C(=O)O)n(-c2ccnc(Cl)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.37
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM1 P11229 1/20 0.33
AGTR2 P50052 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DPP4 P27487 2/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
FFAR2 O15552 1/20 0.31
ADAM17 P78536 2/20 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
SCHEMBL2106619 0.91 CTSS (0.39) CTSSTSHRALDH1A1ADAM17
SCHEMBL695198 0.91 CTSS (0.39) CTSSTSHRALDH1A1ADAM17
SCHEMBL695726 0.91 CTSS (0.46) CTSSALDH1A1CHRM1
SCHEMBL695912 0.89 CHRM1 (0.33) CTSSTSHRALDH1A1CHRM1AGTR2
SCHEMBL695913 0.89 CHRM1 (0.33) CTSSTSHRALDH1A1CHRM1AGTR2
SCHEMBL3071105 0.87 CTSS (0.55) CTSS
SCHEMBL696052 0.86 CTSS (0.52) CTSS
SCHEMBL696580 0.84 SMO (0.36) ALDH1A1CHRM1AGTR2FFAR4
SCHEMBL696581 0.84 SMO (0.36) ALDH1A1CHRM1AGTR2FFAR4
SCHEMBL15327102 0.84 SMO (0.36) ALDH1A1CHRM1AGTR2FFAR4

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-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-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO 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 CTSS 1542/4885TSHR 2043/4885ALDH1A1 727/4885

“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.