SCHEMBL3714577

SCHEMBL3714577

CCc1cc(S(=O)(=O)NC(C)C)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 5/20 0.45
PTPN11 Q06124 2/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GFER P55789 1/20 0.43
GAA P10253 1/20 0.42

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 0.83 NPSR1 (0.49) NPSR1KDM4EALDH1A1PTPN11POLB
SCHEMBL3756242 0.82 ALDH1A1 (0.55) NPSR1KDM4EALDH1A1PTPN11FLT1
SCHEMBL9796022 0.82 ADAMTS4 (0.49) NPSR1KDM4EALDH1A1PTPN11POLB
SCHEMBL3764291 0.82 NPSR1 (0.50) NPSR1KDM4EALDH1A1PTPN11POLB
SCHEMBL29894018 0.80 APEX1 (0.54) KDM4EALDH1A1FLT1FLT4KDR
SCHEMBL3764440 0.79 NPSR1 (0.46) NPSR1KDM4EALDH1A1PTPN11FLT1
SCHEMBL7433558 0.79 S1PR3 (0.53) NPSR1KDM4EALDH1A1GAA
SCHEMBL3324916 0.79 LMNA (0.42) ALDH1A1L3MBTL1
SCHEMBL13543499 0.79 CYP3A4 (0.52) NPSR1KDM4EALDH1A1PTPN11GAA
SCHEMBL3923738 0.79 LMNA (0.62) NPSR1KDM4EALDH1A1POLBGAA

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR NPSR1 2952/4885KDM4E 718/4885ALDH1A1 3391/4885

“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.