SCHEMBL3059680

SCHEMBL3059680

CCOC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.67
CTSK P43235 7/20 0.67
CTSB P07858 4/20 0.67
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
CTSL P07711 2/20 0.50
ACE P12821 1/20 0.49
KLK5 Q9Y337 1/20 0.48
SCN9A Q15858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.46
TACR1 P25103 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL31380364 1.00 CTSS (0.67) CTSSCTSKCTSBALDH1A1MAPT
SCHEMBL3059684 1.00 CTSS (0.67) CTSSCTSKCTSBALDH1A1MAPT
SCHEMBL27350854 0.92 CTSS (0.71) CTSSCTSKCTSBMAPTCTSL
SCHEMBL20905314 0.92 CTSS (0.71) CTSSCTSKCTSBMAPTCTSL
SCHEMBL29657242 0.91 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL2346578 0.91 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL21946642 0.91 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL2346583 0.91 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL30578593 0.91 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL14633440 0.89 CTSK (0.62) CTSSCTSKCTSBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 CTSS 4636/4885CTSK 4627/4885CTSB 4193/4885

“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.