SCHEMBL15569698

SCHEMBL15569698

CC(C)(O)C(C)(C)OB(O)c1ccc(O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ESR2 Q92731 1/20 0.32
PRKCZ Q05513 2/20 0.32
TTR P02766 2/20 0.31

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
SCHEMBL1457940 0.83 CYP3A4 (0.35) TSHRHSD17B10CA1CA2ESR2
SCHEMBL17112790 0.81 HSD17B1 (0.34)
SCHEMBL12491986 0.80 CA12 (0.37) TSHRCA1CA2
SCHEMBL22336 0.80 MAOB (0.43) TSHRCA2
SCHEMBL15367187 0.80 AR (0.46)
SCHEMBL117688 0.78 ENPP2 (0.43) TSHR
SCHEMBL1277500 0.77 ALDH1A1 (0.38) TSHR
SCHEMBL2325728 0.77 KCNH2 (0.33)
SCHEMBL18706282 0.77 ALDH1A1 (0.42) TSHRHSD17B10
SCHEMBL1181137 0.76 ENPP2 (0.41) TSHRHSD17B10CA1CA2ESR2

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
CN-112341434-B PI3K/mTOR protein degradation targeting chimera compound and preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2021-11-26 CN disclosed
CN-112341434-A PI3K/mTOR protein degradation targeting chimera compound and preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2021-02-09 CN disclosed
US-9458106-B2 Phenyl-pyridine/pyrazine amides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
EP-2888232-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2015-07-01 EP disclosed
US-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
WO-2014029726-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-02-27 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-20150158815-A1 NOVEL PHENYL-PYRIDINE/PYRAZINE AMIDES FOR THE TREATMENT OF CANCER TP53, RB1, HCCS TSHR 947/4885HSD17B10 3384/4885CA1 4103/4885

“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.