SCHEMBL3048236

SCHEMBL3048236

CCN(CC)C(=O)n1cc(Cc2ccc(SC)cc2)c2c(OCc3ccccc3)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.39
LTB4R2 Q9NPC1 6/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APP P05067 1/20 0.37
POLB P06746 1/20 0.36
EDNRA P25101 1/20 0.36
PPARG P37231 1/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL3040972 0.91 LTB4R (0.41) LTB4RLTB4R2PTGER3PTGER2MEN1
SCHEMBL3049904 0.88 BCHE (0.43) LTB4RLTB4R2MEN1KMT2AALDH1A1
SCHEMBL3049331 0.82 TBXA2R (0.39) PTGER3PTGER2TBXA2RPTGDRMEN1
SCHEMBL3043377 0.79 LTB4R (0.46) LTB4RLTB4R2PTGER3PTGER2MEN1
SCHEMBL3045606 0.71 HTR2A (0.39) POLB
SCHEMBL2580791 0.71 DRD2 (0.53) PTGER3PTGER2TBXA2RPTGDRALDH1A1
SCHEMBL3041247 0.68 APP (0.40) LTB4RLTB4R2PTGER3PTGER2MEN1
SCHEMBL3041250 0.68 APP (0.40) LTB4RLTB4R2PTGER3PTGER2MEN1
SCHEMBL3035105 0.67 APP (0.40) LTB4RLTB4R2PTGER3PTGER2ALDH1A1
SCHEMBL31417623 0.67 HTR6 (0.55) LTB4RLTB4R2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 US disclosed
EP-1680131-A4 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US disclosed
EP-1680131-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 US disclosed
WO-2005012243-A2 SUBSTITUTED INDOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (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-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP LTB4R 2125/4885LTB4R2 2063/4885PTGER3 1434/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP LTB4R 2125/4885LTB4R2 2063/4885PTGER3 1434/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP LTB4R 2125/4885LTB4R2 2063/4885PTGER3 1434/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 LTB4R 3129/4885LTB4R2 3350/4885PTGER3 1536/4885

“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.