SCHEMBL2957110

SCHEMBL2957110

O=C(C[S+]([O-])Cc1cccc2c1-c1ccccc1C2)N1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NAMPT P43490 1/20 0.36
HTR1A P08908 5/20 0.36
HTR7 P34969 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL2958263 0.79 TSHR (0.48) TSHRPOLBDRD2DRD4DRD3
SCHEMBL2954882 0.67 ALDH1A1 (0.50) TSHRMAPTNPSR1HTR2AHRH1
SCHEMBL2313142 0.66 DRD2 (0.46) TSHRPOLBDRD2DRD4DRD3
SCHEMBL2965407 0.65 DRD2 (0.48) TSHRPOLBDRD2DRD4DRD3
SCHEMBL4188739 0.65 GLA (0.42) TSHRMAPTHTR7HTTALDH1A1
SCHEMBL9940488 0.63 AKR1B1 (0.47) TSHRPOLBDRD2DRD4DRD3
SCHEMBL7189694 0.63 DRD3 (0.51) TSHRPOLBDRD2DRD4DRD3
SCHEMBL31420194 0.63 TSHR (0.97) TSHRPOLBMAPTKDM4EHTR1A
SCHEMBL2205908 0.62 ALDH1A1 (0.39) POLBMAPTHTTALDH1A1KMT2A
SCHEMBL21694426 0.62 DRD2 (0.48) TSHRPOLBDRD2DRD4DRD3

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 TSHR 43/4885POLB 3139/4885DRD2 29/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A TSHR 43/4885POLB 3139/4885DRD2 29/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A TSHR 43/4885POLB 3139/4885DRD2 29/4885

“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.