SCHEMBL4239375

SCHEMBL4239375

C=CCSC(SCC=C)SCC=C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TERT O14746 1/20 0.32
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
SLC25A21 Q9BQT8 1/20 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
SCHEMBL5320929 0.73
SCHEMBL16371742 0.73 TRPA1 (0.42) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL11497043 0.71
SCHEMBL5141267 0.71 TRPA1 (0.40) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL10348550 0.71
SCHEMBL10636574 0.69
SCHEMBL1977172 0.69
SCHEMBL11350033 0.69
SCHEMBL9654231 0.69
SCHEMBL8518773 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372982-B1 Pyrrole insecticides RHONE POULENC AGROCHIMIE (FR) 1997-07-02 EP claimed
EP-0396427-B1 Pesticidal 1-arylimidazoles RHONE POULENC AGROCHIMIE (FR) 1995-09-13 EP claimed
EP-0484165-A1 Pesticidal 1-arylimidazoles RHONE-POULENC AGROCHIMIE (FR) 1992-05-06 EP claimed
EP-0396427-A1 Pesticidal 1-arylimidazoles RHONE-POULENC AGROCHIMIE (FR) 1990-11-07 EP claimed
EP-0372982-A2 Pyrrole insecticides RHONE-POULENC AGROCHIMIE (FR) 1990-06-13 EP claimed
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
WO-2009032177-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
EP-0396427-B1 Pesticidal 1-arylimidazoles RHONE POULENC AGROCHIMIE (FR) 1995-09-13 EP disclosed
US-5223525-A Pesticidal 1-arylimidazoles RHONE-POULENC AG COMPANY (US) 1993-06-29 US disclosed
US-5187185-A Pesticidal 1-arylpyrroles RHONE-POULENC AG COMPANY (US) 1993-02-16 US disclosed
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed
EP-0484165-A1 Pesticidal 1-arylimidazoles RHONE-POULENC AGROCHIMIE (FR) 1992-05-06 EP disclosed
EP-0460940-A1 Pesticidal 1-arylpyrroles RHONE-POULENC AGROCHIMIE (FR) 1991-12-11 EP disclosed
EP-0396427-A1 Pesticidal 1-arylimidazoles RHONE-POULENC AGROCHIMIE (FR) 1990-11-07 EP disclosed
EP-0372982-A2 Pyrrole insecticides RHONE-POULENC AGROCHIMIE (FR) 1990-06-13 EP 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT TRPA1 4489/4885ALDH1A1 2554/4885CYP3A4 581/4885
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A TRPA1 4682/4885ALDH1A1 1531/4885CYP3A4 2214/4885

“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.