SCHEMBL1661517

SCHEMBL1661517

[CH2]C1CC(C(=O)O)(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
APLNR P35414 1/20 0.31
GRM1 Q13255 2/20 0.30
GRM2 Q14416 2/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL6686381 0.73 CYP2C19 (0.35) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL5203259 0.73 CYP2C19 (0.35) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL1661518 0.71 APLNR (0.36) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL6105605 0.71 GRM4 (0.35) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL29280477 0.71 GRM4 (0.33) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL15876350 0.71 GRM4 (0.33) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL7140236 0.71 GRM4 (0.56) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL13529287 0.71 GRM4 (0.39) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL11537183 0.71 GRM1 (0.43) GRM4CYP2C19ALDH1A1CYP1A2MEN1
SCHEMBL29280475 0.71 GRM4 (0.33) GRM4CYP2C19ALDH1A1CYP1A2MEN1

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
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 GRM4 621/4885CYP2C19 2670/4885ALDH1A1 1637/4885

“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.