SCHEMBL2508772

SCHEMBL2508772

CC(C)(C)OC(=O)NC(C#N)CCCC#N

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.50
CTSK P43235 14/20 0.50
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 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
SCHEMBL3238402 0.92 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL3238391 0.92 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL8185522 0.88 CTSK (0.60) CTSSCTSK
SCHEMBL8089326 0.86 CTSK (0.56) CTSSCTSKCTSLCTSB
SCHEMBL8089323 0.86 CTSK (0.56) CTSSCTSKCTSLCTSB
SCHEMBL8183200 0.85 CTSK (0.45) CTSSCTSKCTSLCTSBCA1
SCHEMBL6654092 0.84 CTSK (0.58) CTSSCTSKCTSLCTSBCA1
SCHEMBL16119979 0.83 CTSK (0.45) CTSSCTSKCTSLCTSBCA1
SCHEMBL3263928 0.82 CTSS (0.51) CTSSCTSKCTSLCTSBCA1
SCHEMBL5958657 0.80 CTSK (0.56) CTSSCTSKCTSLCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376477-A2 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES Taigen Biotechnology Co., Ltd. (TW) 2011-10-19 EP disclosed
WO-2010077798-A2 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-07-08 WO disclosed
US-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-06-17 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-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES DHPS, AZI2, DPYD CTSS 3427/4885CTSK 4224/4885CTSL 4585/4885

“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.