SCHEMBL1413670

SCHEMBL1413670

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)s3)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR6 P50406 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PTGER4 P35408 1/20 0.42
RORC P51449 4/20 0.41
TNFSF11 O14788 1/20 0.41
CA2 P00918 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1413722 0.89 CXCR4 (0.47) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413713 0.85 CXCR4 (0.48) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413841 0.85 CXCR4 (0.50) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413651 0.85 CXCR4 (0.54) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413723 0.84 CXCR4 (0.49) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413828 0.84 HTR6 (0.58) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413674 0.83 CXCR4 (0.52) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413685 0.83 CXCR4 (0.52) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413794 0.82 CA1 (0.47) CXCR4LMNAMAPTMEN1KMT2A
SCHEMBL1413872 0.81 CXCR4 (0.50) CXCR4LMNAMAPTMEN1KMT2A

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 12 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-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 690/4885LMNA 1948/4885MAPT 542/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG CXCR4 768/4885LMNA 2183/4885MAPT 548/4885

“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.