SCHEMBL2680960

SCHEMBL2680960

CC(C)(C)OC(=O)C1CCC(C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
BTK Q06187 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.35
KMT2A Q03164 2/20 0.34
NR1H2 P55055 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL10236401 1.00 HSD17B10 (0.49) HSD17B10SMN1; SMN2BTKHRH3POLB
SCHEMBL8120922 0.91 HSD17B10 (0.51) HSD17B10SMN1; SMN2BTKPOLBCHRM2
SCHEMBL7874236 0.87 SMN1; SMN2 (0.40) HSD17B10SMN1; SMN2HRH3POLBCHRM2
SCHEMBL2680322 0.87 SMN1; SMN2 (0.40) HSD17B10SMN1; SMN2HRH3POLBCHRM2
SCHEMBL1198433 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKHRH3POLB
SCHEMBL13481736 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKHRH3POLB
SCHEMBL3194210 0.86 HSD17B10 (0.47) HSD17B10SMN1; SMN2BTKHRH3POLB
SCHEMBL408875 0.82 SMN1; SMN2 (0.44) HSD17B10SMN1; SMN2BTKPOLBCHRM2
SCHEMBL5505807 0.82 SMN1; SMN2 (0.44) HSD17B10SMN1; SMN2BTKPOLBCHRM2
SCHEMBL3240371 0.82 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2POLBCHRM2CHRM1

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-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

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 HSD17B10 3617/4885SMN1; SMN2 1798/4885BTK 914/4885

“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.