SCHEMBL3828946

SCHEMBL3828946

O=C1C(=O)c2ccc(S(=O)(=O)O)c3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
TTR P02766 1/20 0.47
ALDH1A1 P00352 3/20 0.43
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
MCL1 Q07820 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PABPC1 P11940 1/20 0.43
SNCA P37840 2/20 0.43
CHAT P28329 1/20 0.43
COMT P21964 1/20 0.41
CYP1A2 P05177 5/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL15851430 0.89 AURKA (0.53) AURKAAURKBTTRALDH1A1MAPT
SCHEMBL1710169 0.87 TYMS (0.54) AURKAAURKBTTRALDH1A1MAPT
SCHEMBL30203973 0.87 TYMS (0.54) AURKAAURKBTTRALDH1A1MAPT
SCHEMBL8291788 0.86 POLB (0.56) AURKAAURKBALDH1A1MAPTKDM4E
SCHEMBL9006326 0.80 CYP1B1 (0.61) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL12889338 0.79 CYP1A2 (0.45) AURKAAURKBTTRALDH1A1CES1
SCHEMBL9568545 0.78 AURKB (0.58) AURKAAURKBTTRALDH1A1SNCA
SCHEMBL9568585 0.78 AURKB (0.58) AURKAAURKBTTRALDH1A1SNCA
SCHEMBL9568549 0.78 AURKB (0.58) AURKAAURKBTTRALDH1A1SMN1; SMN2
SCHEMBL9568598 0.78 AURKB (0.58) AURKAAURKBTTRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7736707-B2 Birefringent film, polycyclic compound, coating liquid, and image display device NITTO DENKO CORPORATION (JP) 2010-06-15 US disclosed
US-7736707-B2 Birefringent film, polycyclic compound, coating liquid, and image display device NITTO DENKO CORPORATION (JP) 2010-06-15 US disclosed
US-20090059370-A1 BIREFRINGENT FILM AND METHOD OF PRODUCING THE SAME NITTO DENKO CORPORATION (JP) 2009-03-05 US disclosed
US-20090059370-A1 BIREFRINGENT FILM AND METHOD OF PRODUCING THE SAME NITTO DENKO CORPORATION (JP) 2009-03-05 US disclosed
US-20090059370-A1 BIREFRINGENT FILM AND METHOD OF PRODUCING THE SAME NITTO DENKO CORPORATION (JP) 2009-03-05 US disclosed
US-20080224095-A1 BIREFRINGENT FILM, POLYCYCLIC COMPOUND, COATING LIQUID, AND IMAGE DISPLAY DEVICE NITTO DENKO CORPORATION (JP) 2008-09-18 US disclosed
US-20080224095-A1 BIREFRINGENT FILM, POLYCYCLIC COMPOUND, COATING LIQUID, AND IMAGE DISPLAY DEVICE NITTO DENKO CORPORATION (JP) 2008-09-18 US disclosed
US-20070248771-A1 Acenaphtho[1,2-b]quinoxaline sulfo-and carboxy-derivative, lyotropic liquid crystal system, optically anisotropic film and method thereof and laminated optical film NITTO DENKO CORPORATION 2007-10-25 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 (2 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-20080224095-A1 BIREFRINGENT FILM, POLYCYCLIC COMPOUND, COATING LIQUID, AND IMAGE DISPLAY DEVICE CIAPIN1, PYM1, AQP1 AURKA 431/4885AURKB 1126/4885TTR 2761/4885
US-20070248771-A1 Acenaphtho[1,2-b]quinoxaline sulfo-and carboxy-derivative, lyotropic liquid crystal system, optically anisotropic film and method thereof and laminated optical film XDH, ACE2, PNPO AURKA 1418/4885AURKB 1482/4885TTR 996/4885

“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.