SCHEMBL5036089

SCHEMBL5036089

CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCCOCC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3576836 0.89 CYP1A2 (0.53) ALOX15TSHRSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL3586118 0.77 ALDH1A1 (0.46) ALOX15TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL3579423 0.76 ALDH1A1 (0.44) ALOX15TSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3586569 0.75 ALDH1A1 (0.54) ALOX15TSHRSMN1; SMN2ALDH1A1NPSR1
SCHEMBL2929535 0.72 SMN1; SMN2 (0.50) ALOX15TSHRSMN1; SMN2ALDH1A1USP2
SCHEMBL3043512 0.71 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1USP2NPSR1
SCHEMBL1437726 0.70 CYP1A2 (0.62) TSHRSMN1; SMN2ALDH1A1NPSR1CYP2C9
SCHEMBL2930041 0.70 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ALDH1A1USP2NPSR1
SCHEMBL2924216 0.70 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ALDH1A1USP2NPSR1
SCHEMBL2925831 0.70 SMN1; SMN2 (0.49) ALOX15TSHRSMN1; SMN2ALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US disclosed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US disclosed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 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 (1 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-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors F12, F2, F5 ALOX15 2048/4885TSHR 619/4885SMN1; SMN2 2878/4885

“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.