SCHEMBL640203

SCHEMBL640203

Cc1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1CCCS(=O)(=O)N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.44
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HTR7 P34969 6/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
DRD3 P35462 2/20 0.36
HTR1E P28566 1/20 0.36
ADRA1B P35368 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
PSEN1 P49768 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
SCHEMBL640204 1.00 CCR1 (0.44) CCR1TP53TSHRHTR7HTR1A
SCHEMBL639412 0.86 HTR7 (0.39) TP53TSHRHTR7HTR1ADRD2
SCHEMBL639411 0.86 HTR7 (0.39) TP53TSHRHTR7HTR1ADRD2
SCHEMBL10205644 0.84 EBP (0.48) TP53TSHRHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL640497 0.84 EBP (0.47) TP53TSHRHTR7HTR1ADRD2
Hydrochloric Acid SCHEMBL640498 0.84 EBP (0.47) TP53TSHRHTR7HTR1ADRD2
SCHEMBL641485 0.83 MEN1 (0.47) TP53TSHRHTR7HTR1ADRD2
SCHEMBL10205646 0.82 EBP (0.47) TP53TSHRHTR7HTR1ADRD2
SCHEMBL640984 0.81 BDKRB1 (0.44) HTR7KDM4EALDH1A1
SCHEMBL640983 0.81 BDKRB1 (0.44) HTR7KDM4EALDH1A1

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-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

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 CCR1 796/4885TP53 2995/4885TSHR 287/4885

“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.