SCHEMBL2433650

SCHEMBL2433650

Cc1ccc(S(=O)(=O)Nc2c(C(C)C)cc([N+](=O)[O-])cc2C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
CYTH2 Q99418 2/20 0.51
GAA P10253 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
HSP90AA1 P07900 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KMO O15229 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PTPN1 P18031 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL5160443 0.93 CYTH2 (0.54) ALDH1A1LMNACYTH2GAAFFAR4
SCHEMBL10623079 0.82 FFAR4 (0.70) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL2434886 0.81 GAA (0.55) ALDH1A1LMNACYTH2GAAFFAR4
SCHEMBL2437807 0.79 CYTH2 (0.54) ALDH1A1LMNACYTH2GAAFFAR4
SCHEMBL9164476 0.79 NLRP3 (0.67) ALDH1A1LMNACYTH2GAAFFAR4
SCHEMBL5158966 0.76 CYTH2 (0.57) ALDH1A1LMNACYTH2GAAFFAR4
SCHEMBL27876169 0.75 HSP90AA1 (0.50) ALDH1A1LMNACYTH2GAAFFAR4
SCHEMBL6577363 0.74 CA2 (0.71) ALDH1A1LMNACYTH2GAACYP3A4
SCHEMBL2243826 0.74 CA2 (0.71) ALDH1A1LMNACYTH2GAACYP3A4
SCHEMBL10655906 0.74 CRHBP (0.66) ALDH1A1LMNAGAAFFAR4HSP90AA1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516204-B The morpholine replaced and thiomorpholine derivatives H. LUNDHECK A/S (DK) 2016-01-20 CN disclosed
US-8299075-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
CN-102516204-A Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H 2012-06-27 CN disclosed
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-12-01 US disclosed
US-8012962-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2011-09-06 US disclosed
US-7812023-B2 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US disclosed
US-20100063033-A1 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
EP-1947093-B9 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2010-03-03 EP disclosed
EP-2138487-A1 Substituted morpholine and thiomorpholine derivatives for the treatment of bipolar disorders H. Lundbeck A/S (DK) 2009-12-30 EP disclosed
US-7501414-B2 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2009-03-10 US disclosed
EP-1727809-B8 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-10-29 EP disclosed
EP-1947093-A1 Substituted morpholine and thiomorpholine derivatives H. Lundbeck A/S (DK) 2008-07-23 EP disclosed
EP-1727809-B1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-06-11 EP disclosed
CN-1930138-A Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2007-03-14 CN disclosed
EP-1727809-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
US-20060167248-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
WO-2005087754-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed
US-5442060-A Treating hyperlipemia, atherosclerosis MITSUBISHI KASEI CORPORATION (JP) 1995-08-15 US disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 EP 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 (4 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-20060167248-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 ALDH1A1 1668/4885LMNA 4789/4885CYTH2 815/4885
US-20100063033-A1 Methods of using substituted morpholine derivatives OPRM1, TPMT, SIGMAR1 ALDH1A1 1464/4885LMNA 4533/4885CYTH2 770/4885
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 ALDH1A1 1483/4885LMNA 4865/4885CYTH2 1415/4885
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 ALDH1A1 1668/4885LMNA 4789/4885CYTH2 815/4885

“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.