SCHEMBL13085577

SCHEMBL13085577

CCOC(=O)[C@@H](Cc1cccc(OC[C@@H](O)COc2ccc(Cl)cc2C#N)c1)OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
ADRB2 P07550 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CASR P41180 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV4 Q9HBA0 2/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL13085606 1.00 CYP2D6 (0.39) CYP2D6ADRB2SLC6A2SLC6A4CASR
SCHEMBL2867578 0.91 PPARA (0.42) SLC6A2SLC6A4CASRSLC6A3KCNH2
SCHEMBL4328397 0.91 PPARA (0.42) SLC6A2SLC6A4CASRSLC6A3KCNH2
SCHEMBL4330032 0.91 PPARA (0.42) SLC6A2SLC6A4CASRSLC6A3KCNH2
SCHEMBL4329084 0.89 KMT2A (0.41) CYP2D6MEN1KMT2AMAPK1L3MBTL1
SCHEMBL4333168 0.89 KMT2A (0.41) CYP2D6MEN1KMT2AMAPK1L3MBTL1
SCHEMBL14309180 0.89 SLC6A2 (0.43) CYP2D6ADRB2SLC6A2SLC6A4CASR
SCHEMBL4329088 0.89 KMT2A (0.41) CYP2D6MEN1KMT2AMAPK1L3MBTL1
SCHEMBL13091613 0.86 MEN1 (0.41) CYP2D6SLC6A2SLC6A4CASRSLC6A3
SCHEMBL13085586 0.85 P2RX3 (0.35) XDHSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-20070117866-A1 Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI CO., LTD. (JP) 2007-05-24 US 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-20070117866-A1 Calcium bis [ (2S) - 3- [3-[ (2S) -3- (4-chloro-2-cyanophenoxy) -2- fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof CA2, CACNA1A, CACNA1C CYP2D6 217/4885ADRB2 415/4885SLC6A2 511/4885

“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.