SCHEMBL3754345

SCHEMBL3754345

O=C(c1ccc(S(=O)(=O)NCC2CCCO2)cc1)N1CCOc2ccc(-c3cnc4ccccc4c3)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.65
MTOR P42345 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.54
LMNA P02545 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HTT P42858 4/20 0.54
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL12997877 0.90 LMNA (0.55) PIK3CAMTORSMN1; SMN2LMNAALDH1A1
SCHEMBL3754396 0.87 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL3752998 0.86 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL3760869 0.86 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL3760106 0.86 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL3759962 0.86 PIK3CA (0.71) PIK3CAMTOR
SCHEMBL3748448 0.84 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL3755701 0.84 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL3755294 0.84 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL3757800 0.82 PIK3CA (0.83) PIK3CAMTORLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR PIK3CA 16/4885MTOR 1/4885SMN1; SMN2 3454/4885

“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.