SCHEMBL763407

SCHEMBL763407

CCOc1ccc(C(C)C)cc1S(=O)(=O)n1cc2c3c(cccc31)CNCC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 3/20 0.44
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.38
NPC1 O15118 1/20 0.38
HTR6 P50406 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
HTR2C P28335 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
Trifluoroacetic Acid SCHEMBL739965 0.93 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL741573 0.80 HTR6 (0.49) HTR6CYP3A4CYP2D6HTR2C
SCHEMBL743820 0.79 HTR6 (0.43) KMT2ASMN1; SMN2TSHRALPLHTR6
SCHEMBL742328 0.78 KMT2A (0.46) KMT2AALDH1A1TSHRMEN1NPC1
SCHEMBL742092 0.74 HTR6 (0.44) KMT2AALDH1A1HTR6CYP3A4GAA
SCHEMBL743880 0.73 HTR6 (0.54) HTR6CYP3A4HTR2C
Trifluoroacetic Acid SCHEMBL740860 0.73 HTR6 (0.38) KMT2AALDH1A1SMN1; SMN2TSHRHTR6
SCHEMBL743911 0.73 HTR6 (0.45) ALDH1A1SMN1; SMN2TSHRHTR6HTR2C
Trifluoroacetic Acid SCHEMBL742682 0.73 HTR6 (0.43) ALDH1A1TSHRHTR6CYP3A4CYP2D6
SCHEMBL741870 0.72 TSHR (0.39) ALDH1A1TSHRHTR6CYP3A4GAA

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 KMT2A 3740/4885ALDH1A1 901/4885SMN1; SMN2 1945/4885

“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.