SCHEMBL2960783

SCHEMBL2960783

O=C(C[S+]([O-])Cc1ccc2oc3ccc(Cl)cc3c2c1)N1CCN(CCO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
TSHR P16473 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
HTR6 P50406 1/20 0.38
ALPL P05186 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
POLB P06746 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
SCHEMBL2954882 0.89 ALDH1A1 (0.50) HTR2AHTR2BALDH1A1KDM4EHPGD
SCHEMBL2952475 0.87 ALOX12 (0.40) HTR2AHTR2BALDH1A1KDM4EHPGD
SCHEMBL2964459 0.85 SCN5A (0.40) HTR2AHTR2BALDH1A1KDM4EHPGD
SCHEMBL2958198 0.80 MAPT (0.50) HTR2AHTR2BALDH1A1KDM4EHPGD
SCHEMBL2958188 0.73 DPP4 (0.40) KMT2APOLBSLC6A2SLC6A4SLC6A3
SCHEMBL2964818 0.72 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2964860 0.66 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10TP53GAA
SCHEMBL2958953 0.65 KMT2A (0.48) HTR2AHTR2BALDH1A1KDM4EHPGD
SCHEMBL2411562 0.65 POLB (0.43) HTR2AALDH1A1KDM4EHPGDKMT2A
SCHEMBL20274140 0.65 ALDH1A1 (0.48) HTR2AHTR2BALDH1A1KDM4EHSD17B10

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 4 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

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-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A HTR2A 2/4885HTR2B 15/4885ALDH1A1 2457/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A HTR2A 2/4885HTR2B 15/4885ALDH1A1 2457/4885

“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.