SCHEMBL1371902

SCHEMBL1371902

CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2F)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AGTR2 P50052 5/20 0.39
HTRA1 Q92743 1/20 0.39
KDM1A O60341 1/20 0.38
KDM1B Q8NB78 1/20 0.38
BTK Q06187 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
UCHL1 P09936 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL2172497 1.00 GPR119 (0.41) GPR119MAPTSMN1; SMN2AGTR2HTRA1
SCHEMBL1371847 0.88 CYP1A2 (0.41) AGTR2HTRA1NR1H2NR1H3KDM4E
SCHEMBL2172111 0.88 CYP1A2 (0.41) AGTR2HTRA1NR1H2NR1H3KDM4E
SCHEMBL1374782 0.87 KDM4E (0.38) AGTR2HTRA1NR1H2NR1H3TDP1
SCHEMBL18301520 0.87 KDM4E (0.38) AGTR2HTRA1NR1H2NR1H3TDP1
SCHEMBL24645440 0.87 ALDH1A1 (0.40) GPR119SMN1; SMN2NR1H2NR1H3TDP1
SCHEMBL2185475 0.87 TSHR (0.43) MAPTAGTR2HTRA1NR1H2NR1H3
SCHEMBL1372212 0.87 TSHR (0.43) MAPTAGTR2HTRA1NR1H2NR1H3
SCHEMBL30882387 0.86 UCHL1 (0.41) AGTR2HTRA1NR1H2NR1H3UCHL1
SCHEMBL29202496 0.86 UCHL1 (0.41) AGTR2HTRA1NR1H2NR1H3UCHL1

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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 GPR119 148/4885MAPT 4150/4885SMN1; SMN2 3279/4885

“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.