SCHEMBL4826849

SCHEMBL4826849

O=C(O)CCN(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.65
PTGIR P43119 2/20 0.49
MLYCD O95822 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ADRB2 P07550 1/20 0.48
ACHE P22303 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.47
NR4A2 P43354 1/20 0.47
HTT P42858 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL11117233 0.86 ADRA2C (0.67) ADRA2CPTGIRMLYCDALDH1A1ADRB2
SCHEMBL28827956 0.86 ADRA2C (0.66) ADRA2CPTGIRMLYCDHPGDALDH1A1
SCHEMBL11120450 0.85 ADRA2C (0.65) ADRA2CPTGIRMLYCDALDH1A1ADRB2
SCHEMBL7751510 0.85 ADRA2C (0.69) ADRA2CPTGIRMLYCDHPGDALDH1A1
SCHEMBL11226870 0.85 TSHR (0.65) ADRA2CPTGIRHPGDALDH1A1ACHE
SCHEMBL4168860 0.83 ADRA2C (0.67) ADRA2CPTGIRMLYCDHPGDALDH1A1
SCHEMBL8379537 0.83 ADRA2C (0.58) ADRA2CPTGIRMLYCDHPGDALDH1A1
SCHEMBL4910960 0.81 ADRA2C (0.65) ADRA2CPTGIRMLYCDHPGDALDH1A1
SCHEMBL11400232 0.81 ADRA2C (0.81) ADRA2CPTGIRMLYCDHPGDALDH1A1
SCHEMBL1491953 0.81 ADRA2C (0.65) ADRA2CPTGIRMLYCDHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423172-B2 Tyrosine derivatives as PPAR-γ-modulators LABORATORIOS SALVAT, S.A. (ES) 2008-09-09 US disclosed
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators LABORATORIES SALVAT, S.A. (ES) 2007-11-29 US disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 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 (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-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators PPARG, PPARD, PPARA ADRA2C 167/4885PTGIR 745/4885MLYCD 1334/4885

“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.