SCHEMBL5408412

SCHEMBL5408412

CCCC(CCC)(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.41
CTSS P25774 5/20 0.41
CA1 P00915 2/20 0.40
CA7 P43166 2/20 0.40
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA2 P00918 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7271583 0.90 CTSK (0.38) CTSKCTSSCA1CA7CA12
SCHEMBL8981186 0.89 CTSK (0.43) CTSKCTSSCA1CA7CA12
SCHEMBL88462 0.85 CTSK (0.41) CTSKCTSSCA1CA7CA12
SCHEMBL27485421 0.82 CA12 (0.45) CTSKCTSSCA1CA7CA12
SCHEMBL28235385 0.81 CTSK (0.41) CTSKCTSSCA1CA7CA12
SCHEMBL28168389 0.81 NAALAD2 (0.43) CTSKCTSSCA1CA7CA12
SCHEMBL8836642 0.81 TDP1 (0.42) CTSKCTSSCA1CA7CA12
SCHEMBL5147739 0.80 CTSK (0.39) CTSKCTSSCA1CA7CA12
SCHEMBL5007482 0.79 MEN1 (0.39) CTSKCTSSCA1CA7CA12
SCHEMBL5147615 0.79 AKT1 (0.38) CTSKCTSSCA1CA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed
US-5543414-A VIRICIDES SYNTEX (USA) INC. (US) 1996-08-06 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 CTSK 4240/4885CTSS 3490/4885CA1 2561/4885

“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.