SCHEMBL3707301

SCHEMBL3707301

CN=C(C)C(C(=O)OC)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TRPA1 O75762 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL3707298 1.00 GSK3B (0.46) GSK3BALDH1A1MAPTADRB2ADRB1
SCHEMBL3044469 0.81 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL16502242 0.81 KMT2A (0.45) ALDH1A1MAPTKMT2ATDP1L3MBTL1
SCHEMBL29907949 0.79 ELANE (0.44) ALDH1A1MAPTSLC6A3KMT2AMEN1
SCHEMBL13828453 0.79 SMN1; SMN2 (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL17948728 0.75 GSK3B (0.53) GSK3BALDH1A1MAPTADRB2ADRB1
SCHEMBL17949303 0.74 GSK3B (0.51) GSK3BALDH1A1MAPTADRB2ADRB1
SCHEMBL2292750 0.73 CHRNA1 (0.54) ALDH1A1MAPTCA1CA2SLC6A3
SCHEMBL3701610 0.73 NAPRT (0.43) MAPTKMT2AMEN1TDP1L3MBTL1
SCHEMBL2292755 0.73 CHRNA1 (0.54) ALDH1A1MAPTCA1CA2SLC6A3

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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 GSK3B 2704/4885ALDH1A1 3791/4885MAPT 4253/4885

“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.