SCHEMBL739936

SCHEMBL739936

O=S(=O)(c1cc2ccccc2o1)n1cc2c3c(cccc31)CNCC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.39
CA2 P00918 1/20 0.38
CYP3A4 P08684 5/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
PNMT P11086 2/20 0.34
CD44 P16070 1/20 0.34
MAOB P27338 1/20 0.34
AKR1B1 P15121 1/20 0.34
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL742280 0.92 BACE1 (0.36) HTR6CA2CYP3A4HTR2CHTR2A
SCHEMBL742112 0.79 HTR6 (0.58) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL743984 0.77 CA2 (0.38) HTR6CA2CYP3A4HTR2CHTR2A
SCHEMBL742689 0.76 HTR6 (0.39) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL741792 0.75 HTR6 (0.46) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL742667 0.75 HTR2C (0.54) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL743511 0.75 HTR6 (0.46) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL743880 0.75 HTR6 (0.54) HTR6CYP3A4HTR2CHTR2APNMT
SCHEMBL742252 0.74 HTR6 (0.42) HTR6CYP3A4HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL741869 0.74 HTR6 (0.46) HTR6CYP3A4HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US claimed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP claimed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US claimed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO claimed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B HTR6 1/4885CA2 4438/4885CYP3A4 342/4885

“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.