SCHEMBL2964818

SCHEMBL2964818

CCOC(=O)N1CCN(C(=O)C[S+]([O-])Cc2ccc3oc4ccccc4c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 4/20 0.51
USP2 O75604 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41

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
SCHEMBL2954882 0.83 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10USP2GAA
SCHEMBL2952475 0.77 ALOX12 (0.40) KDM4EALDH1A1KMT2AHPGDLMNA
SCHEMBL2958961 0.76 LMNA (0.49) KDM4EALDH1A1HSD17B10USP2GLA
SCHEMBL2964647 0.75 CYP1A2 (0.48) KDM4EALDH1A1HSD17B10USP2GLA
SCHEMBL2958188 0.73 DPP4 (0.40) KMT2APOLB
SCHEMBL2960783 0.72 HTR2A (0.47) KDM4EALDH1A1HSD17B10GAAKMT2A
SCHEMBL12008305 0.69 MAPT (0.68) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL12008280 0.68 ALDH1A1 (0.68) ALDH1A1HSD17B10USP2L3MBTL1KMT2A
SCHEMBL12008316 0.67 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10GAAKMT2A
SCHEMBL12008293 0.67 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10KMT2ASMN1; SMN2

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 9 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
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP 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
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO 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 KDM4E 1472/4885ALDH1A1 2457/4885HSD17B10 1734/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A KDM4E 1472/4885ALDH1A1 2457/4885HSD17B10 1734/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A KDM4E 1472/4885ALDH1A1 2457/4885HSD17B10 1734/4885

“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.