SCHEMBL1413784

SCHEMBL1413784

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3cnccn3)c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 3/20 0.43
MAOA P21397 1/20 0.43
ROCK2 O75116 1/20 0.42
IDE P14735 1/20 0.42
HTR6 P50406 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL12810421 0.90 CXCR4 (0.48) CXCR4L3MBTL1ALDH1A1NAMPTHTR6
Hydrochloric Acid SCHEMBL1413766 0.89 CXCR4 (0.48) CXCR4L3MBTL1ALDH1A1NAMPTHTR6
SCHEMBL1413685 0.88 CXCR4 (0.52) CXCR4L3MBTL1ALDH1A1NAMPTIDE
SCHEMBL12810342 0.88 ALDH1A1 (0.49) CXCR4L3MBTL1ALDH1A1NAMPTHTR6
SCHEMBL1413775 0.87 L3MBTL1 (0.48) CXCR4L3MBTL1ALDH1A1NAMPTROCK2
Hydrochloric Acid SCHEMBL1413802 0.87 ALDH1A1 (0.48) CXCR4L3MBTL1ALDH1A1NAMPTHTR6
SCHEMBL1413819 0.85 HTR6 (0.60) CXCR4L3MBTL1ALDH1A1NAMPTROCK2
SCHEMBL1413660 0.85 CXCR4 (0.48) CXCR4L3MBTL1ALDH1A1NAMPTHTR6
SCHEMBL1413651 0.84 CXCR4 (0.54) CXCR4L3MBTL1ALDH1A1HTR6MEN1
SCHEMBL4012523 0.84 CXCR4 (0.48) CXCR4L3MBTL1ALDH1A1NAMPTHTR6

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 14 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

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 CXCR4 690/4885L3MBTL1 3445/4885ALDH1A1 3227/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG CXCR4 768/4885L3MBTL1 3496/4885ALDH1A1 3181/4885

“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.