SCHEMBL1911906

SCHEMBL1911906

CCCCS(=O)(=O)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
ALDH1A1 P00352 7/20 0.45
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
CYP2C19 P33261 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
EPHX2 P34913 1/20 0.40
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8778827 0.94 KEAP1 (0.60) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL8778732 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL9101224 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL9102994 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL9099940 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL8778811 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL9099317 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL8778823 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL3683856 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1
SCHEMBL8778703 0.93 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1MAPTNPSR1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US claimed
US-4101590-A COUNTERCURRENT EXTRACTION MARUZEN OIL CO., LTD. (JP) 1978-07-18 US claimed
US-20230288610-A1 WAVELENGTH SELECTIVE ABSORPTION FILTER AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-09-14 US disclosed
EP-2763968-B1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LTD (GB) 2016-02-24 EP disclosed
WO-2013050421-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2013-04-11 WO disclosed
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0602914-B1 Ink compositions for ink jet printing XEROX CORP (US) 1997-11-12 EP disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed
US-5517350-A Optical component based on Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed
EP-0602914-A1 Ink compositions for ink jet printing XEROX CORPORATION (US) 1994-06-22 EP disclosed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 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-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS KEAP1 3933/4885NFE2L2 1654/4885ALDH1A1 955/4885

“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.