SCHEMBL1413348

SCHEMBL1413348

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(C(=O)CC3CCCCO3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
TNFSF11 O14788 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RORC P51449 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CXCR4 P61073 1/20 0.42
PLK1 P53350 1/20 0.41
TNF P01375 1/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL12810538 0.86 MAPK1 (0.44) MAPK1TNFSF11RORCALDH1A1CXCR4
SCHEMBL1413604 0.81 LMNA (0.50) TNFSF11SMN1; SMN2ALDH1A1CXCR4PLK1
SCHEMBL1413693 0.80 ALDH1A1 (0.50) TNFSF11ALDH1A1CXCR4PLK1TNF
SCHEMBL1413569 0.80 HTR6 (0.55) RORCALDH1A1CXCR4LMNAKMT2A
SCHEMBL1413330 0.80 LMNA (0.60) TNFSF11SMN1; SMN2RORCALDH1A1CXCR4
SCHEMBL1413818 0.79 HTR6 (0.54) RORCALDH1A1CXCR4LMNAKMT2A
SCHEMBL1413646 0.79 HTR6 (0.53) ALDH1A1CXCR4LMNAKMT2AMEN1
SCHEMBL5411264 0.78 HTR6 (0.56) RORCALDH1A1CXCR4LMNAKMT2A
SCHEMBL1413705 0.78 CXCR4 (0.54) RORCALDH1A1CXCR4PLK1LMNA
SCHEMBL1413829 0.77 HTR6 (0.52) ALDH1A1CXCR4LMNAKMT2AMEN1

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 5 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
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-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

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 MAPK1 420/4885TNFSF11 137/4885SMN1; SMN2 546/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG MAPK1 389/4885TNFSF11 122/4885SMN1; SMN2 628/4885

“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.