SCHEMBL2408130

SCHEMBL2408130

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)C(C)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.55
▸ CTSS P25774 6/20 0.55
▸ PSENEN Q9NZ42 3/20 0.43
▸ REN P00797 2/20 0.42
▸ CTSD P07339 2/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL2408132 1.00 CTSK (0.55) CTSKCTSSPSENENRENCTSD
SCHEMBL3058483 0.87 CTSK (0.41) CTSKCTSSPSENENRENCTSD
SCHEMBL14416977 0.85 PSENEN (0.42) CTSKCTSSPSENENRENCTSD
SCHEMBL17306028 0.85 CTSK (0.62) CTSKCTSSRENCTSLCTSB
SCHEMBL17306038 0.85 CTSK (0.62) CTSKCTSSRENCTSLCTSB
SCHEMBL10538884 0.82 SMN1; SMN2 (0.41) CTSKCTSSPSENENRENCTSD
SCHEMBL14416995 0.82 CYP1A2 (0.41) CTSKCTSSPSENENRENCTSD
SCHEMBL11169993 0.82 CTSK (0.55) CTSKCTSSRENCTSLCTSB
SCHEMBL17306034 0.82 CTSK (0.55) CTSKCTSSRENCTSLCTSB
SCHEMBL18082612 0.81 CTSK (0.60) CTSKCTSSCTSLCTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539342-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-15 — — EP disclosed
US-8969376-B2 Pyrazolopyrimidine compounds and their use as PDE10 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-03 — — US disclosed
EP-2539342-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2013-01-02 — — EP disclosed
US-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-12-06 — — US disclosed
WO-2011105628-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-01 — — WO 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-20120309754-A1 PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE3B, PDE3A, PDE5A CTSK 3725/4885CTSS 4253/4885PSENEN 3749/4885

“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.

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