SCHEMBL5847528

SCHEMBL5847528

CN(CC(c1ccccc1)c1ccccc1)C(=O)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.52
HRH1 P35367 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
TACR1 P25103 3/20 0.49
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.44
AOC3 Q16853 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ATM Q13315 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DUT P33316 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9501904 0.81 HPGD (0.61) TDP1TACR1LMNAALDH1A1HPGD
Acetic Acid SCHEMBL9501909 0.78 HPGD (0.58) TDP1TACR1LMNAALDH1A1HPGD
SCHEMBL1174449 0.74 SMN1; SMN2 (0.58) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL1174179 0.74 SMN1; SMN2 (0.58) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL1206380 0.74 LMNA (0.52) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL1206385 0.74 LMNA (0.52) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL29103977 0.74 SMN1; SMN2 (0.58) LMNAMAPK1KDM4EALDH1A1HPGD
SCHEMBL14368105 0.74 AOC3 (0.56) HTR2AHRH1LMNAKDM4EALDH1A1
SCHEMBL14338231 0.74 AOC3 (0.56) HTR2AHRH1LMNAKDM4EALDH1A1
SCHEMBL29988941 0.73 LMNA (0.50) LMNAMAPK1KDM4EALDH1A1HPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed
US-20060173010-A1 Modulators of TNF-alpha signaling GENZYME 2006-08-03 US disclosed
US-7034031-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2006-04-25 US disclosed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US disclosed
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer GENZYME CORPORATION 2004-09-02 US disclosed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP disclosed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US disclosed
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 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 (5 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-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 HTR2A 1056/4885HRH1 219/4885TDP1 3193/4885
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer TNF, TNFRSF1A, CD40 HTR2A 2433/4885HRH1 1087/4885TDP1 2531/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 HTR2A 1440/4885HRH1 950/4885TDP1 3459/4885
US-20060173010-A1 Modulators of TNF-alpha signaling TNF, TNFRSF1A, TNFRSF9 HTR2A 1440/4885HRH1 950/4885TDP1 3459/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 HTR2A 1440/4885HRH1 950/4885TDP1 3459/4885

“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.