SCHEMBL3198273

SCHEMBL3198273

CCCCCS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
THRB P10828 4/20 0.47
THRA P10827 1/20 0.47
MCHR1 Q99705 1/20 0.42
CA2 P00918 4/20 0.41
MMP13 P45452 2/20 0.39
MMP8 P22894 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SOAT1 P35610 1/20 0.38
MMP1 P03956 1/20 0.38
FAAH O00519 2/20 0.38
PSIP1 O75475 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
SCHEMBL9321240 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3183775 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3190130 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL11487812 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3201268 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3198233 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3201840 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3191168 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3202798 0.98 THRB (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL3196071 0.94 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
US-7678907-B2 Halogenation of rylen-carboximides with elementary halogen in a two-phase mixture comprising an organic solvent and water, wherein formed halogen hydroxide is continuously removable from the organic solvent BASF AKTIENGESSELLSCHAFT (DE) 2010-03-16 US disclosed
EP-1802622-B1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF SE (DE) 2008-04-23 EP disclosed
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 US disclosed
EP-1802622-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2007-07-04 EP disclosed
WO-2006037539-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2006-04-13 WO disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 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 (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-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent CYP8B1, HACL2, CTRB2 ALDH1A1 1379/4885CYP3A4 609/4885CYP2C9 49/4885

“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.