SCHEMBL1424508

SCHEMBL1424508

CCOC(=O)c1cccc(CN(C)C(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CDC25B P30305 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 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
SCHEMBL1403561 0.87 HTR2C (0.40) CRHBPCRHR2ALOX15HTR2CSLC6A4
SCHEMBL1424499 0.81 HTR2C (0.38) TSHRCRHBPCRHR2ALDH1A1CA12
SCHEMBL1403500 0.80 LMNA (0.40) TSHRCRHBPCRHR2ALDH1A1HSD17B10
SCHEMBL22657965 0.78 HTR2C (0.45) TSHRCRHBPCRHR2ALDH1A1ALOX15
SCHEMBL1424286 0.77 ALDH1A1 (0.38) TSHRALDH1A1HSD17B10LMNAHPGD
SCHEMBL4627465 0.77 TSHR (0.53) TSHRCDC25BCRHBPCRHR2ALDH1A1
SCHEMBL27963569 0.76 CLCN2 (0.41) CRHBPCRHR2
SCHEMBL11521675 0.76 TSHR (0.68) TSHRCDC25BALDH1A1HSD17B10CA12
SCHEMBL31126835 0.75 TSHR (0.59) TSHRCDC25BALDH1A1HSD17B10LMNA
Ethane SCHEMBL4643835 0.75 CLCN2 (0.40) CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140113935-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2014-04-24 US disclosed
US-8648096-B2 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2014-02-11 US disclosed
EP-2076260-B1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2011-03-23 EP disclosed
EP-2076260-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2009-07-08 EP disclosed
US-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2008-09-04 US disclosed
WO-2008033567-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-03-20 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 (2 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-20080214615-A1 N-methylaminomethyl isoindole compounds and compositions comprising and methods of using the same INMT, HNMT, TPMT TSHR 4665/4885CDC25B 1207/4885CRHBP 2329/4885
US-20140113935-A1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME INMT, HNMT, TPMT TSHR 4665/4885CDC25B 1207/4885CRHBP 2329/4885

“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.