SCHEMBL17756103

SCHEMBL17756103

CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.43
RECQL P46063 2/20 0.42
EPHX1 P07099 1/20 0.42
NR1H2 P55055 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1219226 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL1219224 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL16584184 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL12872902 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL6907597 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL10137655 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL12723118 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL19484302 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL19484300 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL17762580 0.90 KMT2A (0.46) ALDH1A1MEN1KMT2ATSHRHPGD

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 ALDH1A1 560/4885MEN1 1076/4885KMT2A 2409/4885

“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.