SCHEMBL697727

SCHEMBL697727

Cc1csc(C2(C(=O)O)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.35
NOS1 P29475 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR3C1 P04150 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL696381 0.79 MEN1 (0.43) POLBSLC6A4
SCHEMBL15897740 0.79 L3MBTL1 (0.41) ALDH1A1KDM4E
SCHEMBL23972752 0.77 SMN1; SMN2 (0.38) TP53NPSR1RAB9ANPC1CNR2
SCHEMBL733529 0.75 HPGD (0.38) TP53NPSR1RAB9ANPC1CNR2
SCHEMBL15385480 0.73 ELOVL1 (0.49) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL23573214 0.73 ALDH1A1 (0.40) TP53NPSR1RAB9ANPC1CNR2
SCHEMBL7377036 0.73 SMN1; SMN2 (0.36) TP53NPSR1RAB9ANPC1CNR2
SCHEMBL23232310 0.70 SMN1; SMN2 (0.38) TP53NPSR1RAB9ACNR2ALDH1A1
SCHEMBL5376501 0.69 SMN1; SMN2 (0.40) TP53NPSR1RAB9ANPC1CNR2
SCHEMBL2481307 0.69 L3MBTL1 (0.36) TP53NPSR1RAB9ACNR2MAPT

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 6 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 disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN 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 TP53 3172/4885NPSR1 13/4885RAB9A 1997/4885

“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.