SCHEMBL2954882

SCHEMBL2954882

O=C(C[S+]([O-])Cc1ccc2oc3ccccc3c2c1)N1CCN(CCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HRH1 P35367 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2960783 0.89 HTR2A (0.47) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL2964818 0.83 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2958961 0.77 LMNA (0.49) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL2964647 0.76 CYP1A2 (0.48) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL2952475 0.76 ALOX12 (0.40) ALDH1A1KDM4EHPGDTSHRMAPT
SCHEMBL2958188 0.73 DPP4 (0.40) PARP1
SCHEMBL2958198 0.69 MAPT (0.50) ALDH1A1KDM4EHPGDHTTHSD17B10
SCHEMBL2957110 0.67 TSHR (0.44) ALDH1A1KDM4EHTTTSHRNPSR1
SCHEMBL2965869 0.66 DPP4 (0.36) KDM4ECASP7CYP1A2PARP1
SCHEMBL5838047 0.64 CYP1A2 (0.66) ALDH1A1KDM4EHPGDTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885KDM4E 1472/4885HPGD 3681/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885KDM4E 1472/4885HPGD 3681/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885KDM4E 1472/4885HPGD 3681/4885

“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.