SCHEMBL12810342

SCHEMBL12810342

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3cccnc3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NAMPT P43490 4/20 0.49
CA2 P00918 2/20 0.48
CXCR4 P61073 1/20 0.48
HTR6 P50406 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL1413802 0.99 ALDH1A1 (0.48) ALDH1A1NAMPTCA2CXCR4HTR6
SCHEMBL1413660 0.92 CXCR4 (0.48) ALDH1A1NAMPTCA2CXCR4HTR6
Hydrochloric Acid SCHEMBL4009397 0.91 CXCR4 (0.48) ALDH1A1NAMPTCA2CXCR4HTR6
SCHEMBL1413819 0.91 HTR6 (0.60) ALDH1A1NAMPTCA2CXCR4HTR6
SCHEMBL1413828 0.91 HTR6 (0.58) ALDH1A1CA2CXCR4HTR6L3MBTL1
SCHEMBL1413309 0.90 HTR6 (0.49) ALDH1A1NAMPTCA2CXCR4HTR6
SCHEMBL1413651 0.90 CXCR4 (0.54) ALDH1A1CA2CXCR4HTR6L3MBTL1
SCHEMBL13688479 0.89 NAMPT (0.61) ALDH1A1NAMPTCA2HTR6L3MBTL1
SCHEMBL1413775 0.88 L3MBTL1 (0.48) ALDH1A1NAMPTCA2CXCR4HTR6
Hydrochloric Acid SCHEMBL1413584 0.88 NAMPT (0.60) ALDH1A1NAMPTCA2HTR6L3MBTL1

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 9 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-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-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 ALDH1A1 3227/4885NAMPT 574/4885CA2 3947/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG ALDH1A1 3181/4885NAMPT 656/4885CA2 4091/4885

“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.