SCHEMBL742687

SCHEMBL742687

O=S(=O)(c1ccccc1C(F)(F)F)n1cc2c3c(cccc31)CNCC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.55
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2C P28335 5/20 0.41
DRD3 P35462 2/20 0.39
HTR1A P08908 1/20 0.39
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.36

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 SCHEMBL742241 0.94 HTR6 (0.50) HTR6MEN1KMT2AHTR2CDRD3
SCHEMBL743880 0.84 HTR6 (0.54) HTR6HTR2CDRD3HTR1ACYP3A4
SCHEMBL742667 0.84 HTR2C (0.54) HTR6HTR2CDRD3CYP3A4HTR2A
SCHEMBL741800 0.83 HTR6 (0.52) HTR6HTR2CCYP3A4HTR2A
Trifluoroacetic Acid SCHEMBL743921 0.83 HTR2C (0.47) HTR6HTR2CDRD3CYP3A4HTR2A
Trifluoroacetic Acid SCHEMBL742666 0.83 HTR6 (0.47) HTR6HTR2CDRD3HTR1A
SCHEMBL743065 0.82 HTR6 (0.42) HTR6HTR2CCYP3A4
SCHEMBL742618 0.81 HTR6 (0.55) HTR6HTR2CCYP3A4HTR2A
SCHEMBL742112 0.81 HTR6 (0.58) HTR6HTR2CCYP3A4HTR2A
SCHEMBL742252 0.79 HTR6 (0.42) HTR6HTR2CDRD3HTR1ACYP3A4

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 8 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
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US 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
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

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 1/4885MEN1 1392/4885KMT2A 3740/4885

“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.