SCHEMBL742619

SCHEMBL742619

CC(C)(C)c1ccc(S(=O)(=O)n2cc3c4c(cccc42)CNCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.44
HTR2C P28335 6/20 0.42
MLNR O43193 1/20 0.40
CYP3A4 P08684 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
DRD3 P35462 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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 SCHEMBL743534 0.92 HTR6 (0.41) HTR6HTR2CMLNRCYP3A4HTR2A
SCHEMBL741800 0.90 HTR6 (0.52) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL763083 0.87 HTR6 (0.53) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL742112 0.86 HTR6 (0.58) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL14070185 0.85 HTR6 (0.50) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL743799 0.85 HTR6 (0.53) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL741607 0.85 HTR6 (0.53) HTR6HTR2CCYP3A4HTR2AHTR2B
SCHEMBL743386 0.84 HTR6 (0.56) HTR6HTR2CCYP3A4
SCHEMBL741573 0.84 HTR6 (0.49) HTR6HTR2CCYP3A4HTR2AHTR2B
Trifluoroacetic Acid SCHEMBL743367 0.84 HTR6 (0.47) HTR6HTR2CMLNRCYP3A4HTR2A

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 1/4885HTR2C 8/4885MLNR 240/4885

“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.