SCHEMBL4945084

SCHEMBL4945084

C[C@@H](CN(CCCOc1cccc(CC(=O)O)c1)Cc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 13/20 0.61
TSHR P16473 1/20 0.52
NR1H2 P55055 4/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
RXRA P19793 1/20 0.51
VHL P40337 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
PPARD Q03181 2/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PTGDR2 Q9Y5Y4 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
SCHEMBL4945096 1.00 NR1H3 (0.61) NR1H3TSHRNR1H2MEN1NR1I2
SCHEMBL4950478 0.96 NR1H3 (0.62) NR1H3TSHRNR1H2MEN1NR1I2
SCHEMBL4950489 0.96 NR1H3 (0.62) NR1H3TSHRNR1H2MEN1NR1I2
SCHEMBL4945080 0.85 NR1H3 (0.71) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL4945068 0.85 NR1H3 (0.71) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL4945002 0.82 NR1H3 (0.63) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL4945015 0.82 NR1H3 (0.63) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL4949802 0.82 NR1H3 (0.68) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL4945922 0.82 NR1H3 (0.68) NR1H3NR1H2MEN1NR1I2ALDH1A1
SCHEMBL4945910 0.82 NR1H3 (0.68) NR1H3NR1H2MEN1NR1I2ALDH1A1

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-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US claimed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA NR1H3 2/4885TSHR 495/4885NR1H2 1/4885

“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.