SCHEMBL3721889

SCHEMBL3721889

Cc1c(C(=O)Cl)ccc(S(C)(=O)=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
PIK3CA P42336 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CCR2 P41597 2/20 0.32
BCAT2 O15382 1/20 0.32
EPAS1 Q99814 2/20 0.32

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
SCHEMBL1780058 0.84 LMNA (0.39) PRKDCALDH1A1ALOX15PIK3CAL3MBTL1
SCHEMBL9761613 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1BCAT2
SCHEMBL5638807 0.81 L3MBTL1 (0.38) ALDH1A1L3MBTL1BCAT2
SCHEMBL5548265 0.80 CA1 (0.41) ALDH1A1
SCHEMBL27298860 0.79 CCR2 (0.37) ALDH1A1ALOX15CCR2BCAT2EPAS1
SCHEMBL9649698 0.77 ALDH1A1 (0.36) ALDH1A1L3MBTL1CCR2
SCHEMBL8678853 0.77 SMN1; SMN2 (0.35) ALDH1A1L3MBTL1
SCHEMBL27346257 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15
SCHEMBL27746541 0.76 HPGD (0.43) ALDH1A1ALOX15L3MBTL1
SCHEMBL6364782 0.76 CES2 (0.48) ALDH1A1ALOX15

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 3 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
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 PRKDC 480/4885ALDH1A1 3391/4885ALOX15 1756/4885

“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.