SCHEMBL3177791

SCHEMBL3177791

CC(C)(C)C(=O)OCn1cnc2cc(O)cc(OCCCl)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.42
TNF P01375 8/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 5/20 0.33
HDAC6 Q9UBN7 1/20 0.31
HSD17B13 Q7Z5P4 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL3177738 0.88 TNF (0.39) ESR2TNFPOLBGAANPSR1
SCHEMBL3192060 0.85 TNF (0.35) TNFPOLBGAANPSR1HDAC6
SCHEMBL3188070 0.84 PRKCA (0.38) GAANPSR1LMNA
SCHEMBL5263692 0.82 ESR2 (0.41) ESR2TNFESR1HDAC6HSD17B13
SCHEMBL3429086 0.79 ESR2 (0.36) ESR2POLB
SCHEMBL664005 0.78 HDAC6 (0.55) TNFPOLBGAANPSR1HDAC6
SCHEMBL1012831 0.76 ESR2 (0.52) ESR2TNFPOLBGAANPSR1
SCHEMBL21177886 0.75 LMNA (0.35) ESR2TNFPOLBGAANPSR1
SCHEMBL5500566 0.74 ESR1 (0.47) ESR2TNFPOLBGAANPSR1
SCHEMBL5562061 0.74 HDAC6 (0.55) TNFPOLBHDAC6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022476-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-01-28 US disclosed
EP-1836191-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006067391-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-06-29 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-20100022476-A1 PYRAZOLYLAMINO SUBSTITUTED QUINAZOLES FOR THE TREATMENT OF CANCER CCNI, MKI67, TP53 ESR2 2537/4885TNF 3198/4885POLB 498/4885

“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.