SCHEMBL16685290

SCHEMBL16685290

Cc1ccccc1[C@@H](C)OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACP3 P15309 1/20 0.36
ACHE P22303 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP24A1 Q07973 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL18042368 1.00 ESR1 (0.45) ESR1ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL18411491 0.82 ALDH1A1 (0.33) ESR1ALDH1A1L3MBTL1TSHR
SCHEMBL6258207 0.79 MC4R (0.40) ALDH1A1L3MBTL1CA1CA2
SCHEMBL7663623 0.79 LPAR1 (0.40) ALDH1A1L3MBTL1LMNA
SCHEMBL15273965 0.79 L3MBTL1 (0.37) ALDH1A1L3MBTL1ACHECA1CA2
SCHEMBL7261205 0.79 CA1 (0.51) ALDH1A1L3MBTL1ACHECA1CA2
SCHEMBL15562148 0.77 ALDH1A1 (0.44) ADRA2AADRA2BADRA2CALDH1A1SLC6A4
SCHEMBL22243589 0.75 PSEN1 (0.35) ALDH1A1POLBTSHR
SCHEMBL16629394 0.75 PSEN1 (0.38) ALDH1A1
SCHEMBL18002519 0.75 ACP3 (0.40) L3MBTL1ACP3

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-9987381-B2 Radioligands for imaging the LPA-1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
US-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-09-08 US disclosed
EP-3062827-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR Bristol-Myers Squibb Company (US) 2016-09-07 EP disclosed
WO-2015066456-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-07 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-20160256577-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR LPAR1, LPAR3, LPAR2 ESR1 3531/4885ADRA2A 201/4885ADRA2B 177/4885

“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.