SCHEMBL3764440

SCHEMBL3764440

CC(C)NS(=O)(=O)c1ccc(C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
KDM4E B2RXH2 1/20 0.45
MMP7 P09237 2/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
PTPN11 Q06124 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
GFER P55789 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
SCHEMBL9796338 0.81 NPSR1 (0.49) NPSR1KDM4EPTPN11ALDH1A1POLB
SCHEMBL3755094 0.80 MEP1B (0.49) NR3C1PGRALDH1A1FLT1FLT4
SCHEMBL9796022 0.79 ADAMTS4 (0.49) NPSR1KDM4EMMP7MMP1MMP2
SCHEMBL3756242 0.79 ALDH1A1 (0.55) NPSR1KDM4EPTPN11ALDH1A1FLT1
SCHEMBL13543499 0.79 CYP3A4 (0.52) NPSR1KDM4EPTPN11ALDH1A1LMNA
SCHEMBL3764291 0.79 NPSR1 (0.50) NPSR1KDM4EMMP7MMP1MMP2
SCHEMBL3714577 0.79 NPSR1 (0.51) NPSR1KDM4EPTPN11ALDH1A1FLT1
SCHEMBL12377255 0.79 ALDH1A1 (0.58) MMP7ALDH1A1POLBLMNA
SCHEMBL3923738 0.77 LMNA (0.62) NPSR1KDM4EALDH1A1POLBLMNA
SCHEMBL10984175 0.77 NPSR1 (0.48) NPSR1KDM4EMMP7MMP1MMP2

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 NPSR1 2952/4885KDM4E 718/4885MMP7 1291/4885

“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.