Sugi Predict

Sugi Predict / Compounds / SCHEMBL640107

SCHEMBL640107

SCHEMBL640107

CN1CCC(N2CCN(S(=O)(=O)CCCCC3CCCN3S(=O)(=O)c3c(Cl)cc(C(F)(F)F)cc3Cl)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ HTR7 P34969 6/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NMT1 P30419 3/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32

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
SCHEMBL639412 0.87 HTR7 (0.39) ALDH1A1HTR7HTR1ADRD2HTR1D
SCHEMBL639411 0.87 HTR7 (0.39) ALDH1A1HTR7HTR1ADRD2HTR1D
SCHEMBL10205646 0.83 EBP (0.47) ALDH1A1HTR7HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL640993 0.82 EBP (0.47) ALDH1A1HTR7HTR1ADRD2HTR1D
SCHEMBL639220 0.82 KDM2B (0.46) ALDH1A1HTR7HTR1ADRD2HTR1D
SCHEMBL639219 0.82 KDM2B (0.46) ALDH1A1HTR7HTR1ADRD2HTR1D
SCHEMBL10205644 0.80 EBP (0.48) ALDH1A1HTR7HTR1ADRD2HTR1D
SCHEMBL640204 0.80 CCR1 (0.44) ALDH1A1HTR7HTR1ADRD2HTR1D
SCHEMBL640203 0.80 CCR1 (0.44) ALDH1A1HTR7HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL640498 0.79 EBP (0.47) ALDH1A1HTR7HTR1ADRD2HTR1D

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 ALDH1A1 1278/4885HTR7 905/4885HTR1A 199/4885

“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.