SCHEMBL695912

SCHEMBL695912

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TSHR P16473 1/20 0.32
CTSS P25774 2/20 0.32
DPP4 P27487 2/20 0.31
CHRM4 P08173 1/20 0.31
AGTR2 P50052 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30

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
SCHEMBL695913 1.00 CHRM1 (0.33) CHRM1ALDH1A1L3MBTL1FFAR4TSHR
SCHEMBL694936 0.90 CTSS (0.35) CHRM1CTSSCHRM4SMARCA2SMARCA4
SCHEMBL694937 0.90 CTSS (0.35) CHRM1CTSSCHRM4SMARCA2SMARCA4
SCHEMBL694938 0.90 CTSS (0.35) CHRM1CTSSCHRM4SMARCA2SMARCA4
SCHEMBL695742 0.89 CTSS (0.37) CHRM1ALDH1A1FFAR4TSHRCTSS
SCHEMBL696580 0.87 SMO (0.36) CHRM1ALDH1A1L3MBTL1FFAR4AGTR2
SCHEMBL15327102 0.87 SMO (0.36) CHRM1ALDH1A1L3MBTL1FFAR4AGTR2
SCHEMBL695726 0.87 CTSS (0.46) CHRM1ALDH1A1CTSS
SCHEMBL696581 0.87 SMO (0.36) CHRM1ALDH1A1L3MBTL1FFAR4AGTR2
SCHEMBL695336 0.83 CTSS (0.44) CTSS

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 CHRM1 2935/4885ALDH1A1 727/4885L3MBTL1 2744/4885

“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.