Sugi Predict

Sugi Predict / Compounds / SCHEMBL640104

SCHEMBL640104

SCHEMBL640104

COc1cc(C)c(S(=O)(=O)N2CCCC2CCCCS(=O)(=O)N2CCC(CCN3CCCC3)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 15/20 0.40
▸ HTR1A P08908 6/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ HTR1B P28222 5/20 0.37
▸ DRD3 P35462 5/20 0.37
▸ DRD2 P14416 4/20 0.37
▸ HTR1D P28221 4/20 0.37
▸ AVPR1B P47901 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ HTR5A P47898 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ CASP1 P29466 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
SCHEMBL639404 0.87 HTR7 (0.43) HTR7HTR1ATMEM97EPHX2HTR1B
SCHEMBL640597 0.84 HTR6 (0.37) HTR7HTR1ATMEM97SIGMAR1EPHX2
SCHEMBL10205617 0.84 EPHX2 (0.39) EPHX2AVPR1BHTR6SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL640205 0.83 EPHX2 (0.39) EPHX2AVPR1BHTR6SMN1; SMN2NPSR1
SCHEMBL3338008 0.82 EPHX2 (0.42) EPHX2AVPR1BHTR6HTR4NPSR1
SCHEMBL640785 0.82 EPHX2 (0.40) EPHX2HTR6HTR4SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL639403 0.81 EPHX2 (0.41) EPHX2AVPR1BHTR6HTR4NPSR1
Hydrochloric Acid SCHEMBL639042 0.81 EPHX2 (0.40) EPHX2HTR6HTR4SMN1; SMN2NPSR1
SCHEMBL10205615 0.79 EBP (0.42) HTR7HTR1AEPHX2HTR1BDRD3
Hydrochloric Acid SCHEMBL640548 0.78 EBP (0.42) HTR7HTR1AEPHX2HTR1BDRD3

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 HTR7 905/4885HTR1A 199/4885TMEM97 1434/4885

“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.