SCHEMBL13201405

SCHEMBL13201405

Cc1cccc(OS(=O)(=O)c2ccccc2Cl)c1[N+]#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.51
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2 P00734 9/20 0.36
PRSS2 P07478 3/20 0.35
F10 P00742 2/20 0.35
CTRC Q99895 4/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL13201407 0.79 HTR6 (0.51) HTR6MEN1ESR1GAAKMT2A
SCHEMBL29150913 0.69 KMT2A (0.64) HTR6MEN1ESR1GAAKMT2A
Fluoride Ion SCHEMBL9340055 0.69 ALDH1A1 (0.35) ESR1GAACYP1A2ALDH1A1LMNA
SCHEMBL11777616 0.66 ALDH1A1 (0.45) HTR6MEN1ESR1GAAKMT2A
SCHEMBL30217935 0.66 TDP1 (0.52) HTR6MEN1KMT2ALMNAF2
SCHEMBL196710 0.66 TDP1 (0.52) HTR6MEN1KMT2ALMNAF2
SCHEMBL198294 0.65 HSD11B1 (0.46) HTR6MEN1GAAKMT2ACYP1A2
SCHEMBL1548998 0.65 MEN1 (0.71) HTR6MEN1ESR1GAAKMT2A
SCHEMBL2967108 0.65 ALPL (0.40) HTR6MEN1ESR1GAAKMT2A
SCHEMBL8634554 0.65 HSD11B1 (0.46) HTR6GAACYP1A2CYP2C9CYP2C19

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 3 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

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-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A HTR6 37/4885MEN1 3887/4885ESR1 553/4885

“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.