SCHEMBL1413637

SCHEMBL1413637

COC(=O)c1ccc(S(=O)(=O)n2cc(C3CCC(F)(F)C3)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FBP1 P09467 1/20 0.41
DRD2 P14416 1/20 0.41
ALOX5 P09917 1/20 0.40
KLK7 P49862 2/20 0.40

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
SCHEMBL1413297 0.88 HTR6 (0.53) HTR6DRD2KLK7
SCHEMBL1413325 0.87 HTR6 (0.58) HTR6MEN1KMT2AFBP1DRD2
SCHEMBL1413432 0.85 HTR6 (0.58) HTR6MEN1KMT2AFBP1DRD2
SCHEMBL1413492 0.84 HTR6 (0.57) HTR6MEN1KMT2AFBP1DRD2
SCHEMBL1413314 0.83 HTR6 (0.54) HTR6MEN1KMT2AFBP1DRD2
SCHEMBL1413874 0.83 GAA (0.44) HTR6MEN1KMT2A
SCHEMBL1413725 0.82 HTR6 (0.50) HTR6MEN1KMT2A
SCHEMBL1413758 0.81 HTR6 (0.43) HTR6
SCHEMBL4005519 0.76 MEN1 (0.59) HTR6MEN1KMT2AFBP1ALOX5
SCHEMBL973974 0.75 SCN9A (0.50) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 EP disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 HTR6 172/4885MEN1 157/4885KMT2A 2691/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885MEN1 183/4885KMT2A 2789/4885

“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.