SCHEMBL5450014

SCHEMBL5450014

CC[C@@H]([C]=O)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.50
CTSS P25774 9/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
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
SCHEMBL9515168 0.86 CTSK (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL3212391 0.85 CA1 (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL2405498 0.85 CA1 (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL12635077 0.84 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL10829328 0.84 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL6977978 0.84 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL12635071 0.84 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL5045442 0.84 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL2402020 0.84 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL5958657 0.84 CTSK (0.56) CTSKCTSSCA1CA2CA7

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-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 US disclosed
EP-1674454-A1 SUBSTITUTED 2-AMINO- 1,2,4 TRIAZOLO 1,5-a PYRIMIDINE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 EP 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-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof ADORA1, ADORA2B, ADORA3 CTSK 3955/4885CTSS 4191/4885CA1 3471/4885

“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.