Sugi Predict

Sugi Predict / Compounds / SCHEMBL584447

SCHEMBL584447

SCHEMBL584447

O=C(NC1(CO)CCOCC1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL381668 0.90 CTSL (0.50) CTSLCTSBCTSSSMN1; SMN2LMNA
SCHEMBL10239127 0.88 CTSL (0.47) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL648487 0.87 CTSS (0.54) CTSLCTSBCTSSSMN1; SMN2LMNA
SCHEMBL21197875 0.87 NPC1 (0.48) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL24187757 0.87 CTSL (0.51) CTSLCTSBCTSSSMN1; SMN2LMNA
SCHEMBL7121567 0.86 CTSS (0.56) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL584639 0.86 MEN1 (0.47) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL14894968 0.84 CTSL (0.44) MEN1KMT2ANPSR1CTSLCTSB
SCHEMBL3333808 0.84 TLR2 (0.47) CTSLCTSBCTSSSMN1; SMN2LMNA
SCHEMBL3339610 0.84 TLR2 (0.47) CTSLCTSBCTSSSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MEN1 1398/4885KMT2A 2825/4885NPSR1 4243/4885

“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.