SCHEMBL3981146

SCHEMBL3981146

COC(=O)Cc1cccc(OC[C@@H](C)CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.47
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CTBP2 P56545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39

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
SCHEMBL3980690 1.00 SLC7A5 (0.47) SLC7A5MTNR1AMTNR1BSMN1; SMN2NR1H2
SCHEMBL3980691 1.00 SLC7A5 (0.47) SLC7A5MTNR1AMTNR1BSMN1; SMN2NR1H2
SCHEMBL26205650 0.83 SLC7A5 (0.46) SLC7A5MTNR1AMTNR1BSMN1; SMN2NR1H3
SCHEMBL28401187 0.82 SLC7A5 (0.50) SLC7A5MTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL334386 0.81 SLC7A5 (0.48) SLC7A5MTNR1AMTNR1BSMN1; SMN2NR1H3
SCHEMBL3978325 0.80 BCHE (0.44) SLC7A5NR1H2NR1H3HTR1DHTR1B
SCHEMBL3978329 0.80 BCHE (0.44) SLC7A5NR1H2NR1H3HTR1DHTR1B
SCHEMBL3868045 0.80 SLC7A5 (0.47) SLC7A5MTNR1AMTNR1BSMN1; SMN2NR1H3
SCHEMBL28035509 0.79 SLC7A5 (0.52) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL4950334 0.79 BCHE (0.54) SLC7A5NR1H2NR1H3

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-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 — — US disclosed
US-20060041164-A1 Acid and ester compounds and methods of using the same GLAXOSMITHKLINE LLC 2006-02-23 — — US disclosed
EP-1487776-A4 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORP (US) 2005-05-25 — — EP disclosed
EP-1487776-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 — — EP disclosed
WO-2003082802-A1 ACID AND ESTER COMPOUNDS AND METHODS OF USING THE SAME 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-20060041164-A1 Acid and ester compounds and methods of using the same NR1H3, NR1H2, PPARA SLC7A5 1337/4885MTNR1A 778/4885MTNR1B 869/4885

“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.

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