SCHEMBL640985

SCHEMBL640985

O=S(=O)(CCC1CCN(S(=O)(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)CC1)N1CCC(CCN2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.41
HTR6 P50406 6/20 0.41
DRD2 P14416 5/20 0.41
HTR1A P08908 4/20 0.41
HTR2A P28223 4/20 0.41
ATM Q13315 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.36
EPHX2 P34913 2/20 0.36
DRD3 P35462 1/20 0.36
ADAMTS4 O75173 2/20 0.35
MMP2 P08253 2/20 0.35
ADAM17 P78536 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 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
SCHEMBL10205627 0.76 L3MBTL1 (0.43) HTR7HTR6DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL639140 0.75 L3MBTL1 (0.42) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL639078 0.74 EBP (0.48) ALDH1A1EPHX2
SCHEMBL641654 0.73 KMT2A (0.49) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL640174 0.72 EBP (0.52) MEN1ALDH1A1KMT2AEPHX2
SCHEMBL10205625 0.72 TSHR (0.51) HTR7HTR6DRD2HTR1AHTR2A
SCHEMBL3337535 0.71 EBP (0.38) HTR7ALDH1A1EPHX2
Hydrochloric Acid SCHEMBL3338129 0.71 TSHR (0.50) HTR7HTR6DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL640337 0.70 EBP (0.37) HTR7ALDH1A1EPHX2
SCHEMBL3338008 0.69 EPHX2 (0.42) HTR6MEN1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US claimed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US claimed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 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-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 HTR7 905/4885HTR6 792/4885DRD2 147/4885

“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.