SCHEMBL1004688

SCHEMBL1004688

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1nc2c(C(=O)O)ccc(F)c2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.43
GPR119 Q8TDV5 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RORC P51449 1/20 0.35
ABCB1 P08183 1/20 0.35
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL4409740 0.90 USP30 (0.43) USP30GPR119NPSR1IDO1HDAC6
SCHEMBL1005979 0.90 USP30 (0.43) USP30GPR119NPSR1IDO1HDAC6
SCHEMBL1059013 0.83 HTR3A (0.55) USP30
SCHEMBL1059014 0.83 HTR3A (0.55) USP30
SCHEMBL4409888 0.82 HTR3A (0.47) GPR119KMT2AMEN1KDM4EMMP13
SCHEMBL1005424 0.82 HTR3A (0.47) GPR119KMT2AMEN1KDM4EMMP13
SCHEMBL1003499 0.82 HTR3A (0.47) GPR119KMT2AMEN1KDM4EMMP13
SCHEMBL1005054 0.81 HTR3A (0.55)
SCHEMBL1003297 0.78 KMT2A (0.36) USP30GPR119KMT2AMEN1HPGD
Lithium Ion SCHEMBL1003674 0.74 HTR3A (0.47) GPR119

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-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A USP30 4268/4885GPR119 350/4885SMN1; SMN2 3429/4885

“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.