SCHEMBL4007258

SCHEMBL4007258

COC(=O)c1ccc(S(=O)(=O)n2nc(C3CCCC3)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
FBP1 P09467 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PLAU P00749 2/20 0.40
ELANE P08246 2/20 0.40
F2 P00734 1/20 0.40
HPGD P15428 2/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL4009208 0.87 RORC (0.46) CTSGCMA1MEN1KMT2AGAA
SCHEMBL5006331 0.84 USP5 (0.41) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL5010366 0.82 CA2 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4010049 0.80 GAA (0.53) ALDH1A1KDM4ELMNAMAPK1MEN1
SCHEMBL4013129 0.79 ALDH1A1 (0.48) ALDH1A1MAPTLMNATSHRMEN1
SCHEMBL5005889 0.78 LMNA (0.46) ALDH1A1KDM4ELMNATSHRGAA
SCHEMBL1413432 0.77 HTR6 (0.58) GLAFBP1MEN1KMT2A
SCHEMBL5411251 0.77 MEN1 (0.53) MAPTLMNATSHRMEN1KMT2A
SCHEMBL5413378 0.77 MEN1 (0.53) MAPTLMNATSHRMEN1KMT2A
SCHEMBL5411256 0.77 MEN1 (0.53) MAPTLMNATSHRMEN1KMT2A

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
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 GLA 1901/4885FBP1 1010/4885ALDH1A1 3227/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG GLA 1904/4885FBP1 927/4885ALDH1A1 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.