SCHEMBL4279355

SCHEMBL4279355

CCCC[CH]CS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
PPARA Q07869 4/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
NPC1 O15118 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33

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
SCHEMBL4266908 0.93 EPHX2 (0.42) TSHRPPARAEPHX2TP53
SCHEMBL4272439 0.91 EPHX2 (0.45) TSHRPPARAEPHX2CA1CA2
SCHEMBL28366888 0.91 EPHX2 (0.45) TSHRPPARAEPHX2CA1CA2
SCHEMBL3720138 0.85
SCHEMBL9935348 0.79 PPARA (0.48) PPARAEPHX2F7F3LMNA
SCHEMBL4269775 0.79 EPHX2 (0.42) TSHRPPARAEPHX2ALDH1A1TP53
SCHEMBL3138791 0.79 PPARA (0.48) PPARAEPHX2F7F3LMNA
SCHEMBL471961 0.78
SCHEMBL8942933 0.78 APP (0.44) EPHX2LMNA
SCHEMBL1310713 0.77 PPARA (0.47) PPARAEPHX2F7F3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342732-A Containing hydrazide nucleating agent, amine booster; sensitized with merocyanine dye EASTMAN KODAK COMPANY (US) 1994-08-30 US claimed
US-7605263-B2 Fluorescent naphthalene-1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus INFINEON TECHNOLOGIES AG (DE) 2009-10-20 US disclosed
EP-1313735-B1 LIQUID CRYSTALLINE 3,4:9,10-PERYLENETETRACARBOXYLIC ACID DIIMIDES BASF SE (DE) 2008-04-23 EP disclosed
US-6806368-B2 FOR ELECTRONIC, OPTOELECTRONIC AND PHOTONIC APPLICATIONS, FOR COLORATION OF MACROMOLECULAR ORGANIC AND OF INORGANIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2004-10-19 US disclosed
US-20030181721-A1 Liquid crystalline 3,4:9,10-perylenetetacarbocylic acid diimides BASF AKTIENGESELLSCHAFT (DE) 2003-09-25 US disclosed
US-20030153005-A1 Fluorescent naphthalene -1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus POLARIS INNOVATIONS LIMITED (IE) 2003-08-14 US disclosed
EP-0873342-B1 1,7-DIAROXY- OR 1,7-DIARYLTHIO-SUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND THEIR DIANHYDRIDES AND DIIMIDES BASF AG (DE) 2003-06-04 EP disclosed
EP-1313735-A1 LIQUID CRYSTALLINE 3,4:9,10-PERYLENETETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-05-28 EP disclosed
WO-2002014318-A1 LIQUID CRYSTALLINE 3,4:9,10-PERYLENETETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
US-6326494-B1 LASER DYES BASF AKTIENGESELLSCHAFT (DE) 2001-12-04 US disclosed
US-6184378-B1 PIGMENTS, LASER DYES AND PRECURSORS FOR PREPARING FLUORESCENT DYES, POLYMERIC COLORANTS, BASF AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6143905-A REACTING 1,7-DIBROMOPERYLENE-3,4,9,10-TETRACARBOXYLIC DIANHYDRIDE OR TETRACARBOXYLIC ACID IN PRESENCE OF APROTIC SOLVENT WITH A PRIMARY AMINE TO FORM DIIMIDE, REACTING DIIMIDE WITH AROMATIC ALOCHOL OR THIOL, AND HYDROLYZING BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
EP-0869959-B1 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS BASF AG (DE) 2000-05-17 EP disclosed
US-6063181-A 1,7-disubstituted perylene-3,4,9, 10-tetracarboxylic acids, their dianhydrides and diimides of said acids BASF AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
EP-0873342-A1 1,7-DIAROXY- OR 1,7-DIARYLTHIO-SUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND THEIR DIANHYDRIDES AND DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
EP-0869959-A1 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS BASF AKTIENGESELLSCHAFT (DE) 1998-10-14 EP disclosed
WO-1997022608-A1 1,7-DISUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND DIANHYDRIDES AND DIIMIDES OF SAID ACIDS BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 WO disclosed
WO-1997022607-A1 1,7-DIAROXY- OR 1,7-DIARYLTHIO-SUBSTITUTED PERYLENE-3,4,9,10-TETRACARBOXYLIC ACIDS AND THEIR DIANHYDRIDES AND DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 1997-06-26 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 (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-20030153005-A1 Fluorescent naphthalene -1,4,5,8-tetracarboxylic bisimides with an electron-donating substituent on the nucleus H1-4, H1-3, H1-5 TSHR 115/4885PPARA 4076/4885EPHX2 3975/4885
US-20030181721-A1 Liquid crystalline 3,4:9,10-perylenetetacarbocylic acid diimides CCR9, CLTA, HAO2 TSHR 2200/4885PPARA 1835/4885EPHX2 2040/4885

“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.